[(3S,4S,5R)-4,6-dimethyl-1-oxidanyl-5-(phenylcarbonyloxy)hept-6-en-3-yl] benzoate

Systemtic Name: [(3S,4S,5R)-4,6-dimethyl-1-oxidanyl-5-(phenylcarbonyloxy)hept-6-en-3-yl] benzoate Openeye Name: [(1S,2S,3R)-3-benzoyloxy-1-(2-hydroxyethyl)-2,4-dimethyl-pent-4-enyl] benzoate CAS Name: benzoic acid [(3S,4S,5R)-5-benzoyloxy-1-hydroxy-4,6-dimethylhept-6-en-3-yl] ester IUPAC Name: [(3S,4S,5R)-5-benzoyloxy-1-hydroxy-4,6-dimethylhept-6-en-3-yl] benzoate Traditional Name: benzoic acid [(1S,2S,3R)-3-benzoyloxy-1-(2-hydroxyethyl)-2,4-dimethyl-pent-4-enyl] ester Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCO)OC(=O)C1=CC=CC=C1)C(C(=C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@H](CCO)OC(=O)C1=CC=CC=C1)[C@H](C(=C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H26O5/c1-16(2)21(28-23(26)19-12-8-5-9-13-19)17(3)20(14-15-24)27-22(25)18-10-6-4-7-11-18/h4-13,17,20-21,24H,1,14-15H2,2-3H3/t17-,20-,21-/m0/s1