14-Methyl-9,19-cycloergostan-3-ol
Basic information
- CAS
34347-58-5- Standard SMILES
CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2(C)[C@@H]3CC[C@H]4C[C@@H](O)CCC45CC35CC[C@]12C- InChIKey
OLYMLXYZIJLUMG-PASBPSRESA-N- Molecular formula
- C29H50O
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 414.38616621
Overview
14-Methyl-9,19-cycloergostan-3-ol has been reported in Arabidopsis thaliana with data available.
Names & identifiers
- Preferred name
- 14-Methyl-9,19-cycloergostan-3-ol
- IUPAC
- (6S,8S,11S,15R,16R)-15-[(2R,5S)-5,6-dimethylheptan-2-yl]-12,16-dimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Names & synonyms
14-Methyl-9,19-cycloergostan-3-olDTXSID50955899(9xi,10xi,14xi)-14-Methyl-5alpha-9,19-cycloergostan-3beta-ol(6S,8S,11S,15R,16R)-15-[(2R,5S)-5,6-Dimethylheptan-2-yl]-12,16-dimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Database identifiers
- CAS
34347-58-5- PubChem CID
- 189094
- DTXSID
DTXSID50955899
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 669
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Related reactions
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Compound notes
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