Basic information
- Standard SMILES
CC(C)[C@@H]1CC(O)OC([C@@H](C)[C@H]2CC(=O)[C@@H]3[C@@H]4CCC5CC(O)CC[C@]5(C)[C@H]4CC[C@]23C)C1- InChIKey
HXVSYYIMYVZVMR-BKDZEZSHSA-N- Molecular formula
- C29H48O4
- Average molar mass
- 460.7 g/mol
Names & identifiers
- Preferred name
- 22,29-EPOXY-3,29-DIHYDROXY-14beta-STIGMASTAN-15-ONE
- IUPAC
- (8R,9S,10S,13R,14R,17R)-3-hydroxy-17-[(1S)-1-[(4S)-6-hydroxy-4-propan-2-yloxan-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one
Names & synonyms
SCHEMBL5981437HXVSYYIMYVZVMR-BKDZEZSHSA-N22,29-EPOXY-3,29-DIHYDROXY-14beta-STIGMASTAN-15-ONE
Database identifiers
- PubChem CID
- 69625815
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 750
Related reactions
8 records
Compound notes
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