Basic information
- Standard SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C3=CC=C4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
LOFHKODUBNFEDH-ACDRZAEZSA-N- Molecular formula
- C27H40O2
- Average molar mass
- 396.6 g/mol
Names & identifiers
- Preferred name
- Cholesta-1,5,7-trien-3-on-25-ol
- IUPAC
- (9S,10R,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-4,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
SCHEMBL9174498LOFHKODUBNFEDH-ACDRZAEZSA-Ncholesta-1,5,7-trien-3-on-25-ol
Database identifiers
- PubChem CID
- 22797385
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 769
Related reactions
2 records
Compound notes
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