Basic information
- CAS
62324-19-0- Standard SMILES
CC(C)CCCC(C)C1CC2OC23C2=CCC4CC(OC(=O)c5ccccc5)CCC4(C)C2CCC13C- InChIKey
CILRIFLDZZZEPV-UHFFFAOYSA-N- Molecular formula
- C34H48O3
- Average molar mass
- 504.7 g/mol
- Monoisotopic mass
- 504.36034539
Overview
structure given in first source; RN given refers to the 5alpha-isomer
Names & identifiers
- Preferred name
- 3-Benzoyloxy-14,15-epoxycholest-7-ene
- IUPAC
- [7,11-dimethyl-6-(6-methylheptan-2-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-1(18)-en-14-yl] benzoate
- English name
- 1-(1,5-DIMETHYLHEXYL)-9A,11A-DIMETHYL-1,2,2A,5,5A,6,7,8,9,9A,9B,10,11,11A-TETRADECAHYDRONAPHTHO[1',2':6,7]INDENO[1,7A-B]OXIREN-7-YL BENZOATE
- Molecular formula
- C34H48O3
- Molecular weight
- 504.74
Names & synonyms
62324-19-03-Benzoyloxy-14,15-epoxycholest-7-ene3-BOECRefChem:93050NSC 2665293beta-Benzoyloxy-14,15 alpha-epoxy-5 alpha-cholest-7-ene[7,11-dimethyl-6-(6-methylheptan-2-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-1(18)-en-14-yl] benzoateCholest-7-en-3-ol, 14,15-epoxy-, benzoate, (3beta,5alpha,15alpha)-1-(1,5-DIMETHYLHEXYL)-9A,11A-DIMETHYL-1,2,2A,5,5A,6,7,8,9,9A,9B,10,11,11A-TETRADECAHYDRONAPHTHO[1',2'NSC266529DTXSID30977877NSC-266529
Show more names
CHOLEST-7(8)-EN-3-BENZOATE-14(15)-EPOXIDECholest-7-en-3-ol, 14,15-epoxy-, 3-benzoate, (3β,5α,15α)-1-(1,5-Dimethylhexyl)-9a,11a-dimethyl-1,2,2a,5,5a,6,7,8,9,9a,9b,10,11,11a-tetradecah1-(1,5-dimethylhexyl)-9a,11a-dimethyl-1,2,2a,5,5a,6,7,8,9,9a,9b,10,11,11a-tetradecahydronaphtho1-(1,5-Dimethylhexyl)-9a,11a-dimethyl-1,2,2a,5,5a,6,7,8,9,9a,9b,10,11,11a-tetradecahydronaphtho[1'.2'.6.7]indeno[1.7a-b]1-(1,5-DIMETHYLHEXYL)-9A,11A-DIMETHYL-1,2,2A,5,5A,6,7,8,9,9A,9B,10,11,11A-TETRADECAHYDRONAPHTHO[1',2':6,7]INDENO[1,7A-B]OXIREN-7-YL BENZOATE
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 901
Physicochemical properties
- Boiling point
- 584.1 · 584.1±50.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers7 total
Ryan Scientific, Inc.[email protected]
凯方医药科技有限公司—
MAYBR-INT—
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
MOLEKULA[email protected]
Service Chemical Inc.[email protected]
Related reactions
1 records
Compound notes
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