[(6S,7S,9R,9aS)-6,9a-dimethyl-6-(4-methyl-3-oxidanylidene-pentyl)-9-oxidanyl-1-oxidanylidene-4,5,5a,7,8,9-hexahydro-3H-benzo[e][2]benzofuran-7-yl] ethanoate

Systemtic Name: [(6S,7S,9R,9aS)-6,9a-dimethyl-6-(4-methyl-3-oxidanylidene-pentyl)-9-oxidanyl-1-oxidanylidene-4,5,5a,7,8,9-hexahydro-3H-benzo[e][2]benzofuran-7-yl] ethanoate Openeye Name: [(6S,7S,9R,9aS)-9-hydroxy-6,9a-dimethyl-6-(4-methyl-3-oxo-pentyl)-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isobenzofuran-7-yl] acetate CAS Name: acetic acid [(6S,7S,9R,9aS)-9-hydroxy-6,9a-dimethyl-6-(4-methyl-3-oxopentyl)-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isobenzofuran-7-yl] ester IUPAC Name: [(6S,7S,9R,9aS)-9-hydroxy-6,9a-dimethyl-6-(4-methyl-3-oxopentyl)-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e][2]benzofuran-7-yl] acetate Traditional Name: acetic acid [(6S,7S,9R,9aS)-9-hydroxy-1-keto-6-(3-keto-4-methyl-pentyl)-6,9a-dimethyl-4,5,5a,7,8,9-hexahydro-3H-benz[e]isobenzofuran-7-yl] ester Formula: C22H32O6 MolecularWeight: 392.48588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCC1(C2CCC3=C(C2(C(CC1OC(=O)C)O)C)C(=O)OC3)C

Isomeric SMILES

CC(C)C(=O)CC[C@@]1([C@H](C[C@H]([C@]2(C1CCC3=C2C(=O)OC3)C)O)OC(=O)C)C

InChI

InChI=1S/C22H32O6/c1-12(2)15(24)8-9-21(4)16-7-6-14-11-27-20(26)19(14)22(16,5)17(25)10-18(21)28-13(3)23/h12,16-18,25H,6-11H2,1-5H3/t16?,17-,18+,21+,22-/m1/s1