Cholestan-3-ol, 4-methyl-, (3beta,4alpha)-
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Basic information
- CAS
42995-59-5- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
AMNBDMZNFAQUHN-APJLXVQGSA-N- Molecular formula
- C28H50O
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 402.38616621
Names & identifiers
- Preferred name
- Cholestan-3-ol, 4-methyl-, (3beta,4alpha)-
- IUPAC
- (3S,4S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-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-ol
- English name
- Cholestan-3-ol, 4-methyl-, (3beta,4alpha)-
- Molecular formula
- C28H50O
- Molecular weight
- 402.7
Names & synonyms
4-Methylcholestan-3-ol #AMNBDMZNFAQUHN-APJLXVQGSA-NCholestan-3-ol, 4-methyl-, (3.beta.,4.alpha.)-Cholestan-3-ol, 4-methyl-, (3β,4α)-Cholestan-3-ol, 4-methyl-, (3beta,4alpha)-
Database identifiers
- CAS
42995-59-5- PubChem CID
- 22212776
Properties
Computed structural propertiesFilling in
- XLogP
- 9.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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