[(1R,3R)-2-(2,6-diacetyloxy-4-pentyl-phenyl)-6-methylidene-3-prop-1-en-2-yl-cyclohexyl] ethanoate

Systemtic Name: [(1R,3R)-2-(2,6-diacetyloxy-4-pentyl-phenyl)-6-methylidene-3-prop-1-en-2-yl-cyclohexyl] ethanoate Openeye Name: [(1R,3R)-2-(2,6-diacetoxy-4-pentyl-phenyl)-3-isopropenyl-6-methylene-cyclohexyl] acetate CAS Name: acetic acid [(1R,3R)-2-(2,6-diacetyloxy-4-pentylphenyl)-6-methylene-3-(1-methylethenyl)cyclohexyl] ester IUPAC Name: [(1R,3R)-2-(2,6-diacetyloxy-4-pentylphenyl)-6-methylidene-3-prop-1-en-2-ylcyclohexyl] acetate Traditional Name: acetic acid [(1R,3R)-2-(2,6-diacetoxy-4-amyl-phenyl)-3-isopropenyl-6-methylene-cyclohexyl] ester Formula: C27H36O6 MolecularWeight: 456.57114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC(=O)C)C2C(CCC(=C)C2OC(=O)C)C(=C)C)OC(=O)C

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC(=O)C)C2[C@@H](CCC(=C)[C@@H]2OC(=O)C)C(=C)C)OC(=O)C

InChI

InChI=1S/C27H36O6/c1-8-9-10-11-21-14-23(31-18(5)28)26(24(15-21)32-19(6)29)25-22(16(2)3)13-12-17(4)27(25)33-20(7)30/h14-15,22,25,27H,2,4,8-13H2,1,3,5-7H3/t22-,25?,27-/m0/s1