Basic information
- CAS
34257-88-0- Standard SMILES
C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C- InChIKey
UGZJUGATSRFPCD-SVHBJQPBSA-N- Molecular formula
- C31H52O2
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.3967309
Overview
Cyclomahogenol has been reported in Swietenia mahagoni with data available.
Names & identifiers
- Preferred name
- (1S,3R,6S,8R,11S,12S,14S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol
- IUPAC
- (1S,3R,6S,8R,11S,12S,14S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol
- English name
- 24-Methylene-9β,19-cyclo-5α-lanostane-3β,16β-diol
- Molecular formula
- C31H52O2
- Molecular weight
- 456.74338
Names & synonyms
Cyclomahogenol24-Methylene-9β,19-cyclo-5α-lanostane-3β,16β-diol
Database identifiers
- CAS
34257-88-0- PubChem CID
- 101306792
- Nikkaji
- J17.400I
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 814
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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