Basic information
- CAS
25485-34-1- Standard SMILES
CC(C)CCCC(C)C1CCC2C3C=CC4=CC(OC(=O)c5ccccc5)CCC4(C)C3CCC12C- InChIKey
KJRLFFDMSLSIGS-UHFFFAOYSA-N- Molecular formula
- C34H48O2
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.36543077
Names & identifiers
- Preferred name
- Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Names & synonyms
4,6-Cholestadien-3beta-ol, benzoate25485-34-1EINECS 247-021-3Cholesta-4,6-dien-3-ol, benzoate, (3beta)-Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-RefChem:576059Cholesta-4,6-dien-3-ol, 3-benzoate, (3.beta.)-Cholesta-4,6-dien-3beta-yl benzoateCholesta-4,6-dien-3-ol, benzoate, (3.beta.)-DTXSID80948370KJRLFFDMSLSIGS-UHFFFAOYSA-Ncholesta-4,6-dien-3-yl benzoate
Show more names
AKOS024419883CHOLESTA-4,6-DIEN-3-BETA-YL BENZOATE
Database identifiers
- CAS
25485-34-1- PubChem CID
- 33010
- DTXSID
DTXSID80948370- EC Number
- 149-851-0、247-021-3
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 847
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCholesta-4,6-dien-3-ol, 3-benzoate, (3.beta.)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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