23,25-Dihydroxy-23-methyl-21-norcholesterol
Basic information
- CAS
71848-98-1- Standard SMILES
CC(C)(O)CC(C)(O)CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
ZVBNAAZSVJITDX-VBQUGBLESA-N- Molecular formula
- C27H46O3
- Average molar mass
- 418.7 g/mol
- Monoisotopic mass
- 418.34469533
Overview
inhibitor of cholesteryl ester formation
Names & identifiers
- Preferred name
- 23,25-Dihydroxy-23-methyl-21-norcholesterol
- IUPAC
- 6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol
Names & synonyms
23,25-Dihydroxy-23-methyl-21-norcholesterolSC 3108271848-98-121-Norcholest-5-ene-3,23,25-triol, 23-methyl-, (3beta)-RefChem:897586-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diolSC-31082
Database identifiers
- CAS
71848-98-1- PubChem CID
- 191986
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 684
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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