15-Methylcholest-7-ene-3,15-diol
Basic information
- CAS
111394-04-8- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC(C)(O)[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
YEKYBNIATRJFGM-HOFOHDGYSA-N- Molecular formula
- C28H48O2
- Average molar mass
- 416.7 g/mol
- Monoisotopic mass
- 416.36543077
Overview
inhibitor of sterol biosynthesis; structure given in first source
Names & identifiers
- Preferred name
- 15-Methylcholest-7-ene-3,15-diol
- IUPAC
- (3S,5S,9R,10S,13R,14S,17R)-10,13,15-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol
Names & synonyms
15-Methylcholest-7-ene-3,15-diol111394-04-8RefChem:7884815 beta-methyl-5 alpha,14 beta-cholest-7-ene-3 beta,15 alpha-diol15beta-Methyl-5alpha,14beta-cholest-7-ene-3beta,15alpha-diol(3S,5S,9R,10S,13R,14S,17R)-10,13,15-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol
Database identifiers
- CAS
111394-04-8- PubChem CID
- 196653
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 668
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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