Basic information
- CAS
5217-14-1- Standard SMILES
CC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3- InChIKey
WBWPNIVYRIGGKO-MXJSQQEUSA-N- Molecular formula
- C24H38O2
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.28718045
Names & identifiers
- Preferred name
- 1-[(3S,5R,10S,13R,14R,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- IUPAC
- 1-[(3S,5R,10S,13R,14R,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Names & synonyms
NSC81401NSC-814015217-14-1
Database identifiers
- CAS
5217-14-1- PubChem CID
- 255698
- Nikkaji
- J1.353.862J
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 674
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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