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Basic information
- Standard SMILES
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=Cc3ccccc3)C[C@@H]12- InChIKey
XVNNBSPKVRWTLT-RGAJKIOOSA-N- Molecular formula
- C26H34O2
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.25588032
Names & identifiers
- Preferred name
- (3S,5S,8R,9S,10S,13S,14S)-16-benzylidene-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
- IUPAC
- (3S,5S,8R,9S,10S,13S,14S)-16-benzylidene-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Database identifiers
- PubChem CID
- 249341
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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