[6-[5,9a-dimethyl-2,7-bis(oxidanylidene)-6,9-dihydro-5aH-pyrano[3,4-b]oxepin-5-yl]-3-(furan-3-yl)-5-methanoyl-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 3-methyl-2-oxidanyl-pentanoate

Systemtic Name: [6-[5,9a-dimethyl-2,7-bis(oxidanylidene)-6,9-dihydro-5aH-pyrano[3,4-b]oxepin-5-yl]-3-(furan-3-yl)-5-methanoyl-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 3-methyl-2-oxidanyl-pentanoate Openeye Name: [6-(5,9a-dimethyl-2,7-dioxo-6,9-dihydro-5aH-pyrano[3,4-b]oxepin-5-yl)-5-formyl-3-(3-furyl)-3a-methyl-7-methylene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-hydroxy-3-methyl-pentanoate CAS Name: 2-hydroxy-3-methylpentanoic acid [6-(5,9a-dimethyl-2,7-dioxo-6,9-dihydro-5aH-pyrano[3,4-b]oxepin-5-yl)-5-formyl-3-(3-furanyl)-3a-methyl-7-methylene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] ester IUPAC Name: [6-(5,9a-dimethyl-2,7-dioxo-6,9-dihydro-5aH-pyrano[3,4-b]oxepin-5-yl)-5-formyl-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-hydroxy-3-methylpentanoate Traditional Name: 2-hydroxy-3-methyl-valeric acid [6-(2,7-diketo-5,9a-dimethyl-6,9-dihydro-5aH-pyrano[3,4-b]oxepin-5-yl)-5-formyl-3-(3-furyl)-3a-methyl-7-methylene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] ester Formula: C33H40O10 MolecularWeight: 596.6647

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1C(C(C(=C)C23C1(C(CC2O3)C4=COC=C4)C)C5(C=CC(=O)OC6(C5CC(=O)OC6)C)C)C=O)O

Isomeric SMILES

CCC(C)C(C(=O)OC1C(C(C(=C)C23C1(C(CC2O3)C4=COC=C4)C)C5(C=CC(=O)OC6(C5CC(=O)OC6)C)C)C=O)O

InChI

InChI=1S/C33H40O10/c1-7-17(2)27(37)29(38)41-28-20(14-34)26(30(4)10-8-24(35)43-31(5)16-40-25(36)13-22(30)31)18(3)33-23(42-33)12-21(32(28,33)6)19-9-11-39-15-19/h8-11,14-15,17,20-23,26-28,37H,3,7,12-13,16H2,1-2,4-6H3