24-Methyl-9,19-cyclolanost-25-en-3-ol
Basic information
- CAS
90686-45-6- Standard SMILES
C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4C(C)(C)[C@H](O)CCC45CC35CC[C@]12C- InChIKey
IXHACUTUTOCSJE-WBONNGQTSA-N- Molecular formula
- C31H52O
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.40181628
Names & identifiers
- Preferred name
- 24-Methyl-9,19-cyclolanost-25-en-3-ol
- IUPAC
- (6R,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Names & synonyms
90686-45-624-Methyl-9,19-cyclolanost-25-en-3-olDTXSID90920228(5xi,9xi,10xi,24S)-24-Methyl-9,19-cyclolanost-25-en-3alpha-ol
Database identifiers
- CAS
90686-45-6- PubChem CID
- 185036
- DTXSID
DTXSID90920228
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 781
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Compound notes
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