17-Hydroxy-2,7,10,13-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Basic information
- CAS
13886-27-6- Standard SMILES
CC1CC2(C)C(CC1=O)CC(C)C1C3CCC(O)C3(C)CCC12- InChIKey
NBCSMIORBHVFQN-UHFFFAOYSA-N- Molecular formula
- C21H34O2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.25588032
Names & identifiers
- Preferred name
- 17-Hydroxy-2,7,10,13-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- 17-hydroxy-2,7,10,13-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
13886-27-6NSC17890517-hydroxy-2,7,10,13-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-oneDTXSID50306665NSC-17890517-Hydroxy-2,7-dimethylandrostan-3-one
Database identifiers
- CAS
13886-27-6- PubChem CID
- 301437
- DTXSID
DTXSID50306665
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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