Basic information
- CAS
77704-67-7- Standard SMILES
C/C(=C\CC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC45CC35CCC12C)C(C)C- InChIKey
PAIRQWYDVRILJI-DNTJNYDQSA-N- Molecular formula
- C30H50O
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.38616621
Overview
(3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol is a triterpenoid.
Names & identifiers
- Preferred name
- (3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol
- IUPAC
- 15-[(E)-5,6-dimethylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Names & synonyms
(3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-olCHEBI:17543015-[(E)-5,6-dimethylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Database identifiers
- CAS
77704-67-7- PubChem CID
- 131751069
- ChEBI
CHEBI:175430
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 752
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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