Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% 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 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 9.2 |
|---|
| Pubchem Sid | 488187370 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187370 |
| Sonrisas canónicas | CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F |
| IUPAC Name | (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| InChIKey | VWUXBMIQPBEWFH-WCCTWKNTSA-N |
| INCHI | 1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 |
| Isómeros SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F |
| WGK Alemania | 3 |
| RTECS | KG7623000 |
| Peso molecular | 606.77 |
| Reaxy-Rn | 25807391 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25807391&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 | Estrane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Estrogens and derivatives |
| Alternative Parents | 3-hydroxysteroids 17-hydroxysteroids Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Sulfoxides Secondary alcohols Cyclic alcohols and derivatives Sulfinyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Estrogen-skeleton - 3-hydroxysteroid - 17-hydroxysteroid - Hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Cyclic alcohol - Sulfoxide - Secondary alcohol - Sulfinyl compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Alcohol - Organosulfur compound - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. |
| External Descriptors | Not available |
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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 | May 11, 2026 | F125644 | |
| Certificate of Analysis | May 11, 2026 | F125644 | |
| Certificate of Analysis | May 11, 2026 | F125644 | |
| Certificate of Analysis | May 11, 2026 | F125644 | |
| Certificate of Analysis | Apr 08, 2026 | F125644 | |
| Certificate of Analysis | Sep 09, 2025 | F125644 | |
| Certificate of Analysis | Apr 18, 2025 | F125644 | |
| Certificate of Analysis | Apr 08, 2025 | F125644 | |
| Certificate of Analysis | Apr 08, 2025 | F125644 | |
| Certificate of Analysis | Apr 08, 2025 | F125644 | |
| Certificate of Analysis | Apr 08, 2025 | F125644 | |
| Certificate of Analysis | Nov 23, 2024 | F125644 | |
| Certificate of Analysis | Nov 23, 2024 | F125644 | |
| Certificate of Analysis | Nov 14, 2024 | F125644 | |
| Certificate of Analysis | Nov 06, 2024 | F125644 | |
| Certificate of Analysis | Nov 06, 2024 | F125644 | |
| Certificate of Analysis | May 22, 2024 | F125644 | |
| Certificate of Analysis | Nov 24, 2023 | F125644 | |
| Certificate of Analysis | Jul 07, 2023 | F125644 | |
| Certificate of Analysis | Feb 07, 2023 | F125644 | |
| Certificate of Analysis | Jan 04, 2023 | F125644 | |
| Certificate of Analysis | Jan 04, 2023 | F125644 | |
| Certificate of Analysis | Jun 02, 2022 | F125644 | |
| Certificate of Analysis | Jun 02, 2022 | F125644 |
| Solubilidad | ≥30.35 mg/mL in DMSO; insoluble in H2O; ≥58.9 mg/mL in EtOH |
|---|---|
| Punto de fusión (°C) | 104 - 112 °C |
| Peso molecular | 606.800 g/mol |
| XLogP3 | 9.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Exact Mass | 606.317 Da |
| Monoisotopic Mass | 606.317 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 854.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Hong Liu, Yang Huang, Jing Yang, Xuejiao Xu, Qiaomei Dai, Yuwei Zhang, Li Zhao, Mengdi Zhang, Jing Zhang, Tonghui Liu, Lili Zhong. (2023) Involvement of estrogen receptor activation in kaempferol-3-O-glucoside's protection against aging-related cognition impairment and microglial inflammation. EXPERIMENTAL CELL RESEARCH, [PMID:37926343] [10.1016/j.yexcr.2023.113849] |
| 2. Xiu Yanghui, Su Yu, Gao Lihua, Yuan Hui, Xu Sennan, Liu Ying, Qiu Yan, Liu Zhen, Li Yuhang. (2023) Corylin accelerated wound healing through SIRT1 and PI3K/AKT signaling: a candidate remedy for chronic non-healing wounds. Frontiers in Pharmacology, [PMID:37266148] [10.3389/fphar.2023.1153810] |
| 3. Yu Bi, Ziyi Xie, Xiang Cao, Huanyu Ni, Shengnan Xia, Xinyu Bao, Qinyue Huang, Yun Xu, Qingxiu Zhang. (2024) Cedrol attenuates acute ischemic injury through inhibition of microglia-associated neuroinflammation via ERβ-NF-κB signaling pathways. BRAIN RESEARCH BULLETIN, [PMID:39414157] [10.1016/j.brainresbull.2024.111102] |
| 4. Su Qi, Chen Kun, Ren Jiayan, Zhang Yu, Han Xu, Leong Sze Wei, Wang Jingjing, Wu Qing, Tu Kaihui, Sarwar Ammar, Zhang Yanmin. (2024) Hypoxia drives estrogen receptor β-mediated cell growth via transcription activation in non-small cell lung cancer. JOURNAL OF MOLECULAR MEDICINE-JMM, [PMID:39420137] [10.1007/s00109-024-02496-8] |
| 5. Xiaomin Su, Yang Wang, Xifeng Qin, Yaqiong Xiao, Boshu Ouyang, Lina Hu, Lin Kang, Ruizhe Xu, Ce Xu, Zanya Sun, Chenyu Sun, Huishu Guo, Zhiqing Pang, Shun Shen. (2025) HIFU-Driven Targeted Pyroptosis Therapy in Basal-Like Breast Cancer. Advanced Science, [PMID:40946176] [10.1002/advs.202503830] |
| 6. Yawen Li, Yishan Li, Kunping Yang, Wanjie Liu, Ming Yang, Shuo Wang, Wei Feng, Guangfu Lv, Jiaming Sun. (2025) Screening of ERβ-Targeted Antipostmenopausal Osteoporosis Chemical Constituents From Cornus officinalis Based on Affinity Ultrafiltration and UHPLC-Q-Exactive Orbitrap MS. BIOMEDICAL CHROMATOGRAPHY, 40 (1): (e70270). [PMID:41311205] [10.1002/bmc.70270] |
| 7. Yun Deng, Shujun Yi, Yu Zheng, Rouyi Wang, Fang Liu, Wenjue Zhong, Lingyan Zhu. (2026) Gestational Exposure to Tri-n-butyl Phosphate Induces Maternal Insulin Resistance and Glucose Intolerance by Antagonizing Estrogen Receptor Alpha. ENVIRONMENTAL SCIENCE & TECHNOLOGY, [PMID:] [10.1021/acs.est.5c14462] |
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View Moligand™ grade guide →