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) |
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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 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards
| Pubchem Sid | 504754299 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754299 |
| Canonical Smiles | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O |
| IUPAC Name | (8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| InChIKey | VOXZDWNPVJITMN-SFFUCWETSA-N |
| INCHI | 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1 |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O |
| WGK Germany | 3 |
| RTECS | KG3750000 |
| Alternate CAS | 57-91-0 |
| NSC Number | 20293 |
| MeSH Entry Terms | alfatradiol |
| Molecular Weight | 272.39 |
| Reaxy-Rn | 2055276 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055276&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 |
| Class | 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 Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Estrogen-skeleton - 17-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound |
| Description | 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 | C18 steroids (estrogens) and derivatives |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 21, 2025 | E194035 | |
| Certificate of Analysis | May 12, 2025 | E194035 | |
| Certificate of Analysis | May 12, 2025 | E194035 | |
| Certificate of Analysis | May 12, 2025 | E194035 | |
| Certificate of Analysis | Jun 28, 2024 | E194035 | |
| Certificate of Analysis | Jun 28, 2024 | E194035 | |
| Certificate of Analysis | Jul 23, 2022 | E194035 | |
| Certificate of Analysis | Jul 23, 2022 | E194035 | |
| Certificate of Analysis | Feb 21, 2022 | E194035 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 27.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 27.24, Max Conc. mM: 100 |
|---|---|
| Specific Rotation[α] | +46.0 to +52.0 deg(C=1, Dioxane) |
| Melt Point(°C) | 222.0 - 226.0 °C |
| Molecular Weight | 272.400 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 272.178 Da |
| Monoisotopic Mass | 272.178 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 382.000 |
| 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 |
| 1. Xian Liu, Like Chen, Yang Yang, Liping Xu, Junyong Sun, Tian Gan. (2022) MXene−reinforced octahedral PtCu nanocages with boosted electrocatalytic performance towards endocrine disrupting pollutants sensing. JOURNAL OF HAZARDOUS MATERIALS, [PMID:36137886] [10.1016/j.jhazmat.2022.130000] |
| 2. Yanqun Yang, Yipeng Huang, Zhuqiang Wu, Rui Shi, Zhengyi Chen, Guihua Ruan. (2022) Porous capillary monolithic column coupled with ultrahigh performance liquid chromatography-tandem mass spectrometry for fast and effective separation and determination of estrogens. ANALYTICA CHIMICA ACTA, [PMID:36089309] [10.1016/j.aca.2022.340270] |
| 3. Xianze Wang, Zhongmou Liu, Zhian Ying, Mingxin Huo, Wu Yang. (2018) Adsorption of Trace Estrogens in Ultrapure and Wastewater Treatment Plant Effluent by Magnetic Graphene Oxide. International Journal of Environmental Research and Public Health, 15 (7): (1454). [PMID:29996530] [10.3390/ijerph15071454] |
| 4. Hailong Peng, Mei Luo, Hua Xiong, Ningxiang Yu, Fangjian Ning, Jieping Fan, Zheling Zeng, Jinhua Li, Lingxin Chen. (2016) Preparation of photonic-magnetic responsive molecularly imprinted microspheres and their application to fast and selective extraction of 17β-estradiol. JOURNAL OF CHROMATOGRAPHY A, [PMID:27000739] [10.1016/j.chroma.2016.03.003] |
| 5. Fangjian Ning, Hailong Peng, Jinhua Li, Lingxin Chen, Hua Xiong. (2014) Molecularly Imprinted Polymer on Magnetic Graphene Oxide for Fast and Selective Extraction of 17β-Estradiol. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:25017481] [10.1021/jf501845w] |
| 6. Cheng Yang, Yanmei Shi, Lixin Li, Zhihong Chen, Di Zhao, Weixia Zhu, Kai Hu. (2024) Facile preparation of novel magnetic metal-organic frameworks/Ti3C2Tx composite for efficiently removal of bisphenol A from water samples. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY, [PMID:] [10.1016/j.jiec.2024.05.054] |
| 7. Yingchao Liu, Jiahui Bai, Xiaoxia Dong, Yuqi Cao, Mingmai Bao, Yingjie Lu, Hui Zeng, Lixing Zhan, Yinlong Guo. (2024) Online Charge-Generation Derivatization by Electrochemical Radical Cations of Thianthrene: Mass Spectrometry Imaging of Estrogens in Biological Tissues. ANALYTICAL CHEMISTRY, [PMID:39031066] [10.1021/acs.analchem.4c02086] |
| 8. Zhang Qianchun, Wang Yutong, Yang Bingnian, Bao Linchun, Wu Yun, Wang Xingyi. (2022) Development of an Efficient Solid-Phase Microextraction Monolithic Column for the Analysis of Estrogens in Human Urine and Serum Samples. CHROMATOGRAPHIA, 85 (8): (733-741). [PMID:] [10.1007/s10337-022-04178-4] |
| 9. Wang Bing, Yuan Huanxiang, Zhu Chunlei, Yang Qiong, Lv Fengting, Liu Libing, Wang Shu. (2012) Polymer-drug conjugates for intracellar molecule-targeted photoinduced inactivation of protein and growth inhibition of cancer cells. Scientific Reports, 2 (1): (1-8). [PMID:23097688] [10.1038/srep00766] |
| 10. Xiaoxiao Wang, Huachun Liu, Zhian Sun, Shanwen Zhao, Yanqiang Zhou, Jianmin Li, Tianpei Cai, Bolin Gong. (2020) Monodisperse restricted access material with molecularly imprinted surface for selective solid-phase extraction of 17β-estradiol from milk. JOURNAL OF SEPARATION SCIENCE, 43 (17): (3520-3533). [PMID:32579267] [10.1002/jssc.202000449] |
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