Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 16 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488188712 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188712 |
| Sorrisi canonici | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 |
| IUPAC Name | [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate |
| InChIKey | UYIFTLBWAOGQBI-BZDYCCQFSA-N |
| INCHI | 1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1 |
| Isomeri SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 |
| WGK Germania | 3 |
| RTECS | KG4050000 |
| Peso molecolare | 376.49 |
| Beilstein | 3107526 |
| Reaxy-Rn | 2063518 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2063518&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 |
| Classe | Steroids and steroid derivatives |
| Subclass | Estrane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Estrane steroids |
| Alternative Parents | 17-hydroxysteroids Phenanthrenes and derivatives Tetralins Benzoic acid esters Benzoyl derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Estrane-skeleton - Hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Benzoate ester - Tetralin - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Aromatic homopolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton. |
| External Descriptors | benzoate ester - 17beta-hydroxy steroid |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
| Certificate of Analysis | Apr 27, 2026 | E102160 | |
| Certificate of Analysis | Jul 16, 2024 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Dec 30, 2022 | E102160 | |
| Certificate of Analysis | Jun 13, 2022 | E102160 |
| Sensibilità | Light sensitive |
|---|---|
| Punto di fusione (°C) | 191-198°C |
| Peso molecolare | 376.500 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 376.204 Da |
| Monoisotopic Mass | 376.204 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 582.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
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| 2. Chen Guotao, Yang Baibing, Chen Jianhuai, Zhu Leilei, Jiang Hesong, Yu Wen, Zang Fengchao, Chen Yun, Dai Yutian. (2017) Changes in Male Rat Sexual Behavior and Brain Activity Revealed by Functional Magnetic Resonance Imaging in Response to Chronic Mild Stress. Journal of Sexual Medicine, 15 (2): (136-147). [PMID:29275048] [10.1016/j.jsxm.2017.11.221] |
| 3. Zhou Si Yun, Song Zhihua, Tian Xuelian, Xia Min, Hu Rongjing, Luo Mei. (2024) Rosmarinic acid activates the Ras/Raf/MEK/ERK signaling pathway to regulate CD8+ T cells and autophagy to clear Chlamydia trachomatis in reproductive tract-infected mice. MOLECULAR IMMUNOLOGY, [PMID:38820902] [10.1016/j.molimm.2024.05.007] |
| 4. Mingyu Chang, Jingcheng Lv, Lianhui Sun, Aihong Chen, Fengbo Zhang, Guangjian Fan, Zhanliang Liu, Jun Li, Hongliang Shen, Mingjun Shi, Yinong Niu, Ye Tian, Xijian Liu, Boyu Yang. (2025) Cu–Mn Bimetallic Mesoporous Silica Nanosonosensitizers Enable Oxeiptosis-Mediated Sonodynamic Therapy for Ultra-Minimally Invasive Treatment of Benign Prostatic Hyperplasia. ACS Applied Materials & Interfaces, [PMID:40911431] [10.1021/acsami.5c12846] |
| 5. Dong Xiaoyu, Xu Le, Wang Shuang, Jiao Xue, Yan Shumin, Huang Yufei, Yuan Ming, Wang Guoyun. (2023) Endometrial stromal cell autophagy-dependent ferroptosis caused by iron overload in ovarian endometriosis is inhibited by the ATF4-xCT pathway. MOLECULAR HUMAN REPRODUCTION, [PMID:38113413] [10.1093/molehr/gaad046] |
| 6. Qiaomei Zheng, Ping Wu, Yanjing Zhao, Jinhua Wang, Shaozhan Chen, Lihong Chen. (2023) Features of peritoneal dendritic cells in the development of endometriosis. Reproductive Biology and Endocrinology, 21 (1): (1-8). [PMID:36639763] [10.1186/s12958-023-01058-w] |
| 7. Zhang Yu, Su Na, Liu Weiyi, Wang Qingqing, Sun Jianguo, Peng Ying. (2021) Metabolomics Study of Guizhi Fuling Capsules in Rats With Cold Coagulation Dysmenorrhea. Frontiers in Pharmacology, [PMID:34776980] [10.3389/fphar.2021.764904] |
| 8. Li Qiuju, Yuan Ming, Jiao Xue, Huang Yufei, Li Jing, Li Dong, Ji Miaomiao, Wang Guoyun. (2021) M1 Macrophage-Derived Nanovesicles Repolarize M2 Macrophages for Inhibiting the Development of Endometriosis. Frontiers in Immunology, [PMID:34354711] [10.3389/fimmu.2021.707784] |
| 9. Xiao Qing, Liu Qi-Meng, Jiang Ru-Chao, Chen Kai-Feng, Zhu Xiang, Ma Lei, Li Wei-Xi, He Fei, Huang Jun-Jun. (2021) Piperazine-Derived α1D/1A Antagonist 1- Benzyl-N- (3-(4- (2-Methoxyphenyl) Piperazine-1-yl) Propyl) -1H- Indole-2- Carboxamide Induces Apoptosis in Benign Prostatic Hyperplasia Independently of α1-Adrenoceptor Blocking. Frontiers in Pharmacology, [PMID:33584271] [10.3389/fphar.2020.594038] |
| 10. Zhu Jialei, Tang Jing. (2020) LncRNA Gm14205 induces astrocytic NLRP3 inflammasome activation via inhibiting oxytocin receptor in postpartum depression. BIOSCIENCE REPORTS, 40 (8): [PMID:32706026] [10.1042/BSR20200672] |
| 11. Qi-meng Liu, Qing Xiao, Xiang Zhu, Kai-feng Chen, Xia-wen Liu, Ru-chao Jiang, Dan Wu, Jun-min Shi, Li-jun Dai, Jun-jun Huang. (2019) Inhibitory effect of α1D/1A antagonist 2-(1H-indol-3-yl)-N-[3-(4-(2-methoxyphenyl) piperazinyl) propyl] acetamide on estrogen/androgen-induced rat benign prostatic hyperplasia model in vivo. EUROPEAN JOURNAL OF PHARMACOLOGY, [PMID:31756334] [10.1016/j.ejphar.2019.172817] |
| 12. Guotao Chen, Jianhuai Chen, Baibing Yang, Wen Yu, Yun Chen, Yutian Dai. (2018) Dopamine D2 receptors in the basolateral amygdala modulate erectile function in a rat model of nonorganic erectile dysfunction. ANDROLOGIA, 51 (1): (e13160). [PMID:30276840] [10.1111/and.13160] |
| 13. Yuan Ming, Li Dong, An Min, Li Qiuju, Zhang Lu, Wang Guoyun. (2016) Rediscovering peritoneal macrophages in a murine endometriosis model. HUMAN REPRODUCTION, 32 (1): (94-102). [PMID:27816922] [10.1093/humrep/dew274] |
| 14. Jun-Jun Huang, Yi Cai, Yan-Zhen Yi, Min-Yi Huang, Liu Zhu, Fei He, Xia-Wen Liu, Bi-Yun Huang, Mu Yuan. (2016) Pharmaceutical evaluation of naftopidil enantiomers: Rat functional assays in vitro and estrogen/androgen induced rat benign prostatic hyperplasia model in vivo. EUROPEAN JOURNAL OF PHARMACOLOGY, [PMID:27615445] [10.1016/j.ejphar.2016.09.009] |
| 15. Yue Wei, Tingyun Ma, Hanxue Wang, Jianguo Xing, Yuwen Wang, Zhengyi Gu, Dandan Mu, Qiang Yin, Xuemei Cheng, Changhong Wang. (2018) Extracts of compound Muniziqi granule suppressed uterus contraction and ameliorated oxytocin-induced primary dysmenorrhea. JOURNAL OF ETHNOPHARMACOLOGY, [PMID:29783015] [10.1016/j.jep.2018.05.024] |
| 16. Yan Xu, Jingxi Zhang, Mengyue Zhang, Jingyu Sun, Zhengdao Chen, Qingsheng Liang, Shaohong Chen, Chuanyin Hu, Yun-Tao Zhao. (2026) Cornus officinalis Siebold & Zucc. ethanol extract alleviates primary dysmenorrhea via anti-inflammatory and spasmolytic effects: network pharmacology and experimental verification. FITOTERAPIA, [PMID:41850592] [10.1016/j.fitote.2026.107176] |