[(Cholestan-3-yl)oxy]methanol
Basic information
- CAS
594846-22-7- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(OCO)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
OKXUAWIBWYQMRJ-CDQKXPLWSA-N- Molecular formula
- C28H50O2
- Average molar mass
- 418.7 g/mol
- Monoisotopic mass
- 418.38108083
Names & identifiers
- Preferred name
- [(Cholestan-3-yl)oxy]methanol
- IUPAC
- [(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethanol
Names & synonyms
[(Cholestan-3-yl)oxy]methanol594846-22-7DTXSID10787138
Database identifiers
- CAS
594846-22-7- PubChem CID
- 71363623
- DTXSID
DTXSID10787138
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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