[(3S,3aS,6aS,9S,10R,10aR)-4-methanoyl-7,7-dimethyl-3,10-bis(oxidanyl)-1-oxidanylidene-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-9-yl] 2-acetyloxydecanoate

Systemtic Name: [(3S,3aS,6aS,9S,10R,10aR)-4-methanoyl-7,7-dimethyl-3,10-bis(oxidanyl)-1-oxidanylidene-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-9-yl] 2-acetyloxydecanoate Openeye Name: [(3S,3aS,6aS,9S,10R,10aR)-4-formyl-3,10-dihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d]isobenzofuran-9-yl] 2-acetoxydecanoate CAS Name: 2-acetyloxydecanoic acid [(3S,3aS,6aS,9S,10R,10aR)-4-formyl-3,10-dihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d]isobenzofuran-9-yl] ester IUPAC Name: [(3S,3aS,6aS,9S,10R,10aR)-4-formyl-3,10-dihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-9-yl] 2-acetyloxydecanoate Traditional Name: 2-acetoxycapric acid [(3S,3aS,6aS,9S,10R,10aR)-4-formyl-3,10-dihydroxy-1-keto-7,7-dimethyl-3a,6,6a,8,9,10-hexahydro-3H-benz[d]isobenzofuran-9-yl] ester Formula: C27H40O9 MolecularWeight: 508.6011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OC1CC(C2CC=C(C3C2(C1O)C(=O)OC3O)C=O)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCC(C(=O)O[C@H]1CC([C@@H]2CC=C([C@H]3[C@]2([C@H]1O)C(=O)O[C@@H]3O)C=O)(C)C)OC(=O)C

InChI

InChI=1S/C27H40O9/c1-5-6-7-8-9-10-11-18(34-16(2)29)23(31)35-19-14-26(3,4)20-13-12-17(15-28)21-24(32)36-25(33)27(20,21)22(19)30/h12,15,18-22,24,30,32H,5-11,13-14H2,1-4H3/t18?,19-,20-,21+,22-,24-,27+/m0/s1