Basic information
- CAS
17137-74-5- Standard SMILES
CC(=O)O[C@H]1CC[C@]2(C)C3=C(CCC2C1)[C@@H]1CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC3- InChIKey
VDLGFFVBSBOWKP-HUZKYICYSA-N- Molecular formula
- C29H48O2
- Average molar mass
- 428.7 g/mol
Names & identifiers
- Preferred name
- Cholest-8-en-3beta-ol, acetate
- IUPAC
- [(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- Cholest-8-en-3β-ol acetate
- Molecular formula
- C29H48O2
- Molecular weight
- 428.69
Names & synonyms
Cholest-8-en-3beta-ol acetateCholest-8-en-3.beta.-ol, acetate17137-74-5Cholest-8-en-3-yl acetate #VDLGFFVBSBOWKP-HUZKYICYSA-N[(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateCholest-8-en-3β-ol acetateCholest-8-en-3-ol, 3-acetate, (3β)-
Database identifiers
- CAS
17137-74-5- Nikkaji
- J114.624F
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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