Basic information
- CAS
119973-28-3- Standard SMILES
CC(C)CC(C)C1CCC2C3CCC4C=CCCC4(C)C3CCC12C- InChIKey
LJMGEJUSISDRME-UHFFFAOYSA-N- Molecular formula
- C25H42
- Average molar mass
- 342.6 g/mol
- Monoisotopic mass
- 342.32865134
Names & identifiers
- Preferred name
- Chol-3-ene, 23-methyl-, (5alpha)-
- IUPAC
- 10,13-dimethyl-17-(4-methylpentan-2-yl)-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Names & synonyms
119973-28-3Chol-3-ene, 23-methyl-, (5alpha)-23-Methylchol-3-eneDTXSID80923162
Database identifiers
- CAS
119973-28-3- PubChem CID
- 86176
- DTXSID
DTXSID80923162
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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