(5R,10S,13R,14R,17S)-17-acetyl-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Basic information
- CAS
14495-28-4- Standard SMILES
CC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3- InChIKey
OXWZCBBGEYDJCU-BIYXDVFHSA-N- Molecular formula
- C24H36O2
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.27153039
Names & identifiers
- Preferred name
- (5R,10S,13R,14R,17S)-17-acetyl-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- (5R,10S,13R,14R,17S)-17-acetyl-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
NSC82775NSC-8277514495-28-4
Database identifiers
- CAS
14495-28-4- PubChem CID
- 256236
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 714
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Compound notes
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