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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Epostane is a 3β-HSD (3β-Hydroxysteroid dehydrogenase) inhibitor and a derivative of trilostane. Epostane is also an interceptive.
| pKa | pKₐ: 9.87 (Predicted) |
|---|
| Canonical Smiles | CC12CCC3C(C1CCC2(C)O)CCC45C3(CC(=C(C4(O5)C)O)C#N)C |
|---|---|
| IUPAC Name | (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,6,15,16-tetramethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile |
| InChIKey | CETKWEWBSMKADK-GSXVSZIWSA-N |
| INCHI | 1S/C22H31NO3/c1-18-8-6-16-14(15(18)7-9-20(18,3)25)5-10-22-19(16,2)11-13(12-23)17(24)21(22,4)26-22/h14-16,24-25H,5-11H2,1-4H3/t14-,15-,16-,18-,19+,20-,21+,22-/m0/s1 |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@]45[C@@]3(CC(=C([C@]4(O5)C)O)C#N)C |
| RTECS | BV8087520 |
| PubChem CID | 6917713 |
| Molecular Weight | 357.49 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Estrane steroids |
| Alternative Parents | Tertiary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Nitriles Epoxides Enols Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Estrane-skeleton - Cyclic alcohol - Tertiary alcohol - Dialkyl ether - Enol - Oxirane - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Description | 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 | Not available |
| Solubility | Soluble in DMSO, methanol, chloroform, and pyridine. |
|---|---|
| Refractive Index | n20D1.60 (Predicted) |
| Specific Rotation[α] | α20/D +76.1°, c = 0.31 in pyridine |
| Boil Point(°C) | ~495.0° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 98-102° C |
| Molecular Weight | 357.500 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 357.23 Da |
| Monoisotopic Mass | 357.23 Da |
| Topological Polar Surface Area | 76.800 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 782.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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 |
