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Basic information
- Standard SMILES
CCC[C@]1(O)CC[C@H]2C3CCC4=CC(=O)CCC4(C)[C@H]3CCC21C- InChIKey
LZSOOHLAZHOTHJ-WSJORCQWSA-N- Molecular formula
- C22H34O2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.25588032
Names & identifiers
- Preferred name
- (9S,14S,17S)-17-hydroxy-10,13-dimethyl-17-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- IUPAC
- (9S,14S,17S)-17-hydroxy-10,13-dimethyl-17-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
SCHEMBL140769NS00034403
Database identifiers
- PubChem CID
- 43373
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
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Compound notes
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