Basic information
- CAS
725273-74-5- Standard SMILES
C[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12- InChIKey
PTPHNYFLJRHMHK-XZIMXZIZSA-N- Molecular formula
- C19H30O
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.22966558
Names & identifiers
- Preferred name
- (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
- IUPAC
- (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
- English name
- Androst-4-en-17β-ol
- Molecular formula
- C19H30O
- Molecular weight
- 274.44
Names & synonyms
androst-4-en-17-olSCHEMBL10273310Androst-4-en-17β-ol3-DeoxytestosteroneANDROST-4-EN-17-BETA-OL
Database identifiers
- CAS
725273-74-5- PubChem CID
- 54207549
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 146 · 146-149 °C(Solv: methanol (67-56-1))
- Boiling point
- 385.5 · 385.5±41.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 15.09 · 15.09±0.60(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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