Basic information
- CAS
34443-88-4- Standard SMILES
C=C(CCC(C)[C@H]1CC[C@@]2(C)C3CCC4C[C@@H](O)CCC45CC35CC[C@]12C)C(C)C- InChIKey
AIPIOTMFPXYEQS-YHSAHBLUSA-N- Molecular formula
- C29H48O
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.37051615
Names & identifiers
- Preferred name
- 14-Methyl-9,19-cycloergost-24(28)-en-3-ol
- IUPAC
- (6S,12S,15R,16R)-12,16-dimethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Names & synonyms
14-Methyl-9,19-cycloergost-24(28)-en-3-olDTXSID50955990(8xi,9xi,10xi,20xi)-14-Methyl-9,19-cycloergost-24(24~1~)-en-3beta-ol(6S,12S,15R,16R)-12,16-Dimethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Database identifiers
- CAS
34443-88-4- PubChem CID
- 3084591
- DTXSID
DTXSID50955990
Properties
Computed structural properties
- XLogP
- 9.5
- 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
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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