Basic information
- CAS
26313-82-6- Standard SMILES
CC(C)CCCC(C)C1CC(=O)C2(C)C3=CCC4CC(OC(=O)c5ccccc5)CCC4(C)C3CCC12C- InChIKey
KVEOEQNNONZKIJ-UHFFFAOYSA-N- Molecular formula
- C35H50O3
- Average molar mass
- 518.8 g/mol
- Monoisotopic mass
- 518.37599545
Names & identifiers
- Preferred name
- 14-Methyl-15-oxocholest-7-en-3-yl benzoate
- IUPAC
- [10,13,14-trimethyl-17-(6-methylheptan-2-yl)-15-oxo-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Names & synonyms
26313-82-614-methyl-15-oxocholest-7-en-3-yl benzoateNSC106561DTXSID30949170NSC-106561
Database identifiers
- CAS
26313-82-6- PubChem CID
- 267366
- DTXSID
DTXSID30949170
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 927
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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