cholesteryl benzoate

chemical compound

Formula: C34H50O2
Molecular weight: 490.8 g/mol
IUPAC name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C
InChIKey: UVZUFUGNHDDLRQ-LLHZKFLPSA-N
XLogP: 10.8
Polar surface area: 26.3 Å²
H-bond donors: 0
H-bond acceptors: 2
Formal charge: 0

via PubChem

Show 5 more facts

chemical formula: C₃₄H₅₀O₂
melting point: 149.0
isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C
canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C
Commons category: Cholesteryl benzoate

Sources (2)

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