Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 5.7 |
|---|
| Pubchem Sid | 504758867 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758867 |
| Sonrisas canónicas | CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O |
| IUPAC Name | (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChIKey | ZXERDUOLZKYMJM-ZWECCWDJSA-N |
| INCHI | 1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1 |
| Isómeros SMILES | CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O |
| Peso molecular | 420.63 |
| Reaxy-Rn | 32509199 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32509199&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Steroids and steroid derivatives |
| Subclass | Bile acids, alcohols and derivatives |
| Intermediate Tree Nodes | Hydroxy bile acids, alcohols and derivatives |
| Direct Parent | Dihydroxy bile acids, alcohols and derivatives |
| Alternative Parents | 7-hydroxysteroids 3-alpha-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Dihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. |
| External Descriptors | cholanoid |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Apr 02, 2026 | I193491 | |
| Certificate of Analysis | Jun 11, 2025 | I193491 | |
| Certificate of Analysis | Jun 11, 2025 | I193491 | |
| Certificate of Analysis | Jun 11, 2025 | I193491 | |
| Certificate of Analysis | Jun 11, 2025 | I193491 | |
| Certificate of Analysis | Aug 01, 2024 | I193491 | |
| Certificate of Analysis | Aug 01, 2024 | I193491 | |
| Certificate of Analysis | Mar 29, 2024 | I193491 | |
| Certificate of Analysis | Mar 29, 2024 | I193491 | |
| Certificate of Analysis | Mar 29, 2024 | I193491 | |
| Certificate of Analysis | Mar 29, 2024 | I193491 | |
| Certificate of Analysis | Mar 29, 2024 | I193491 | |
| Certificate of Analysis | Oct 25, 2023 | I193491 | |
| Certificate of Analysis | Oct 25, 2023 | I193491 | |
| Certificate of Analysis | Oct 25, 2023 | I193491 | |
| Certificate of Analysis | May 06, 2023 | I193491 | |
| Certificate of Analysis | Jun 29, 2022 | I193491 | |
| Certificate of Analysis | Jun 29, 2022 | I193491 | |
| Certificate of Analysis | Jun 29, 2022 | I193491 | |
| Certificate of Analysis | Nov 05, 2021 | I193491 |
| Sensibilidad | Heat sensitive |
|---|---|
| Rotación específica [α] | [α]/D +4 to +6°, c = 1.0 |
| Punto de fusión (°C) | 108-110℃ |
| Peso molecular | 420.600 g/mol |
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 420.324 Da |
| Monoisotopic Mass | 420.324 Da |
| Topological Polar Surface Area | 77.800 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 649.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xi Cao, Miao Qiao, Dongjie Zuo, Sihan Lei, Yongjun Yuan. (2024) Lipase-catalyzed synthesis and characterization of medium-long-medium (MLM) type structured triacylglycerols from peony seed oil. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2024.116566] |
| 2. Danyang Jing, Jingfeng Liu, Da Qin, Jin Lin, Tian Li, Yu Li, Meili Duan. (2024) Obeticholic acid ameliorates sepsis-induced renal mitochondrial damage by inhibiting the NF-κb signaling pathway. RENAL FAILURE, [PMID:39108162] [10.1080/0886022X.2024.2368090] |
| 3. Li Yifan, Wang Hao, He Xiaofang, Zhu Weize, Bao Yiyang, Gao Xinxin, Huang Wenjin, Ge Xinyu, Wei Wenjing, Zhang Huan, Sheng Lili, Zhang Tao, Li Houkai. (2024) Zhi-Kang-Yin formula attenuates high-fat diet-induced metabolic disorders through modulating gut microbiota-bile acids axis in mice. Chinese Medicine, 19 (1): (1-19). [PMID:39425211] [10.1186/s13020-024-01021-w] |
| 4. Yuhui Yan, Wenyu Wang, Aiwen Yan, Haonan Zhu, Qiang Meng. (2025) β-sitosterol protects against ANIT-induced hepatotoxicity and cholestasis via FXR activation. TOXICOLOGY IN VITRO, [PMID:39947414] [10.1016/j.tiv.2025.106020] |
| 5. Jia Xu, Bingxin Huangfu, Teng Wang, Xinxin Ren, Feng Zhang, Kunlun Huang, Xiaoyun He. (2025) Multi-target regulation by artemether in MAFLD through EGFR/HSP90 pathways. Journal of Advanced Research, [PMID:40744274] [10.1016/j.jare.2025.07.048] |
| 6. Aikebaier Jumai, Shaohua Chen, Yaodan Wu, Fen Liu, Bailin Li, Baojun Zhu, Liyun Zhao, Kanglun Liu, Qingzhong Zhang, Sheng-Xiang Qiu. (2025) Bellidifolin, a constituent from edible Mongolic Liver Tea (Swertia diluta), promotes lipid metabolism by regulating intestinal microbiota and bile acid metabolism in mice during high fat diet-induced obesity. Food Bioscience, [PMID:] [10.1016/j.fbio.2025.106562] |
| 7. Peng Ma, Hao Ou, Junze Cai, Yuanli Zhang, Yu Ou. (2025) DRD2-Mediated AMPK Ubiquitination Regulates the Occurrence of Hepatic Steatosis. LIVER INTERNATIONAL, 45 (4): (e70053). [PMID:40052721] [10.1111/liv.70053] |
| 8. Su Li, Caolin Zhong, Wei Jiang, Baojun Zheng, Ruoxin Xiang, Beixuan Yang, Chaozhan Lin, Chenchen Zhu, Meiqi Wang. (2025) Integrated Metabolomics and Network Pharmacology to Explore the Mechanism of Huzhang Erjin Decoction against ANIT-induced Cholestatic Hepatitis. JOURNAL OF ETHNOPHARMACOLOGY, [PMID:40466881] [10.1016/j.jep.2025.120081] |
| 9. Zhihui Li, Yanqiu Gu, Jianbo Yang, Shaozhan Wang, Shengnan Li, Panpan Chen, Ru Yao, Fangbin Liu, Ying Wang, Rong Wang, Yongfang Yuan. (2025) Emodin and physcion alleviate cholestatic liver injury by targeting FXR: hepatoprotective components identified in processed Polygonum multiflorum Thunb. using a comprehensive two-dimensional biochromatography system. Frontiers in Pharmacology, [PMID:41487497] [10.3389/fphar.2025.1706401] |
| 10. Peng Ma, Yan Zhao Guo, Long Long Wang, Yu Ou. (2026) Dopamine receptor D2 regulates inflammation and fibrosis in metabolic dysfunction-associated steatohepatitis disease. BIOCHEMICAL PHARMACOLOGY, [PMID:41519398] [10.1016/j.bcp.2026.117696] |
| 11. Fan Haibo, Hou Yalei, Li Yue, Zheng Zhiwen, Wang Xuelun, Li Yunfeng, Li Yongmin. (2026) Si-Ni-San improves the deposition of lipid droplets in MAFLD through modulating the FXR-GPAT4 axis. Chinese Medicine, 21 (1): (34). [PMID:41530783] [10.1186/s13020-025-01309-5] |
| 12. Jingjie Tan, Sirong Huang, Dongjing Wu, Zhongquan Zhao, Yongju Zhao, Yu Fu, Wei Wu. (2026) AI-Driven Rapid Screening and Characterization of Dipeptidyl Peptidase-IV (DPP-IV) Inhibitory Peptides from Goat Blood Proteins: An Integrative In Silico and Experimental Strategy. Foods, 15 (2): (398). [PMID:41596996] [10.3390/foods15020398] |
| 13. Yexin Wu, Bin Chen, Jintao Long, Mingxin Pai, Zhiyong Xiao, Qun Huang, Kang Li, Bengui Ye. (2026) Study on the effect and mechanism of Ershiyiwei Lvronghao concentrated Pills in the treatment of nonalcoholic fatty liver disease. Frontiers in Pharmacology, [PMID:41657771] [10.3389/fphar.2025.1725610] |
| 14. Wen Jiang, Chen Ye, Ting Hu, Jichao Liang, Yong Chen. (2026) Costunolide Ameliorates Hepatic Steatosis and Insulin Resistance in a Diet-Induced Mouse Model of Metabolic Dysfunction-Associated Steatotic Liver Disease by Activating the AMPK/ACC1 Signalling Pathway. PHYTOTHERAPY RESEARCH, [PMID:] [10.1002/ptr.70302] |
| 15. Yan Xu, Weitao Yang, Yanjing Yun, Hui Wang, Zhuoyao Wu, Youyi Yu, Bingbo Zhang. (2026) Enzyme-Activated MRI for In Vivo Glucose Imaging via a Biodegradable Chromium Nanoprobe. Advanced Science, [PMID:] [10.1002/advs.74861] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →