[(1R,2S,3R)-2-[(1S,2R,3R,5R)-3-acetyloxy-2-(acetyloxymethyl)-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]-3-methyl-cyclopentyl] benzoate

Systemtic Name: [(1R,2S,3R)-2-[(1S,2R,3R,5R)-3-acetyloxy-2-(acetyloxymethyl)-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]-3-methyl-cyclopentyl] benzoate Openeye Name: [(1R,2S,3R)-2-[(1S,2R,3R,5R)-3-acetoxy-2-(acetoxymethyl)-5-[(1Z)-1,5-dimethylhexa-1,4-dienyl]cyclopentyl]-3-methyl-cyclopentyl] benzoate CAS Name: benzoic acid [(1R,2S,3R)-2-[(1S,2R,3R,5R)-3-acetyloxy-2-(acetyloxymethyl)-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]-3-methylcyclopentyl] ester IUPAC Name: [(1R,2S,3R)-2-[(1S,2R,3R,5R)-3-acetyloxy-2-(acetyloxymethyl)-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]-3-methylcyclopentyl] benzoate Traditional Name: benzoic acid [(1R,2S,3R)-2-[(1S,2R,3R,5R)-3-acetoxy-2-(acetoxymethyl)-5-[(1Z)-1,5-dimethylhexa-1,4-dienyl]cyclopentyl]-3-methyl-cyclopentyl] ester Formula: C31H42O6 MolecularWeight: 510.66158

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1C2C(CC(C2COC(=O)C)OC(=O)C)C(=CCC=C(C)C)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H]1[C@@H]2[C@@H](C[C@H]([C@H]2COC(=O)C)OC(=O)C)/C(=C\CC=C(C)C)/C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H42O6/c1-19(2)11-10-12-20(3)25-17-28(36-23(6)33)26(18-35-22(5)32)30(25)29-21(4)15-16-27(29)37-31(34)24-13-8-7-9-14-24/h7-9,11-14,21,25-30H,10,15-18H2,1-6H3/b20-12-/t21-,25+,26-,27-,28-,29-,30-/m1/s1