[(3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-2-oxidanylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbutanoate

Systemtic Name: [(3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-2-oxidanylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbutanoate Openeye Name: [(3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-diacetoxy-3,6,9-trimethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-7-[(Z)-2-methyl-1-oxobut-2-enoxy]-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] ester IUPAC Name: [(3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-diacetoxy-2-keto-3,6,9-trimethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] ester Formula: C29H40O10 MolecularWeight: 548.6219

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC(C2C(C=C(C2C3C1C(C(=O)O3)(C)OC(=O)C)C)OC(=O)C(=CC)C)(C)OC(=O)C

Isomeric SMILES

CCC(C)C(=O)O[C@H]1C[C@]([C@H]2[C@@H](C=C([C@H]2[C@H]3[C@@H]1[C@](C(=O)O3)(C)OC(=O)C)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C

InChI

InChI=1S/C29H40O10/c1-10-14(3)25(32)35-19-12-16(5)21-22(19)28(8,38-17(6)30)13-20(36-26(33)15(4)11-2)23-24(21)37-27(34)29(23,9)39-18(7)31/h10,12,15,19-24H,11,13H2,1-9H3/b14-10-/t15?,19-,20+,21-,22+,23-,24+,28+,29+/m1/s1