[3-acetyloxy-4-butanoyl-2-[[2,4-diacetyloxy-5-[(Z)-1-acetyloxybut-1-enyl]-3-methyl-3-(3-methylbut-2-enyl)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]-5-methoxy-phenyl] ethanoate

Systemtic Name: [3-acetyloxy-4-butanoyl-2-[[2,4-diacetyloxy-5-[(Z)-1-acetyloxybut-1-enyl]-3-methyl-3-(3-methylbut-2-enyl)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]-5-methoxy-phenyl] ethanoate Openeye Name: [3-acetoxy-4-butanoyl-2-[[2,4-diacetoxy-5-[(Z)-1-acetoxybut-1-enyl]-3-methyl-3-(3-methylbut-2-enyl)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]-5-methoxy-phenyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[[2,4-diacetyloxy-5-[(Z)-1-acetyloxybut-1-enyl]-3-methyl-3-(3-methylbut-2-enyl)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-5-methoxy-4-(1-oxobutyl)phenyl] ester IUPAC Name: [3-acetyloxy-4-butanoyl-2-[[2,4-diacetyloxy-5-[(Z)-1-acetyloxybut-1-enyl]-3-methyl-3-(3-methylbut-2-enyl)-6-oxocyclohexa-1,4-dien-1-yl]methyl]-5-methoxyphenyl] acetate Traditional Name: acetic acid [3-acetoxy-4-butyryl-2-[[2,4-diacetoxy-5-[(Z)-1-acetoxybut-1-enyl]-6-keto-3-methyl-3-(3-methylbut-2-enyl)cyclohexa-1,4-dien-1-yl]methyl]-5-methoxy-phenyl] ester Formula: C38H46O13 MolecularWeight: 710.76404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C=C1OC)OC(=O)C)CC2=C(C(C(=C(C2=O)C(=CCC)OC(=O)C)OC(=O)C)(C)CC=C(C)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C=C1OC)OC(=O)C)CC2=C(C(C(=C(C2=O)/C(=C/CC)/OC(=O)C)OC(=O)C)(C)CC=C(C)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C38H46O13/c1-12-14-28(44)32-31(46-11)19-30(48-22(6)40)26(35(32)49-23(7)41)18-27-34(45)33(29(15-13-2)47-21(5)39)37(51-25(9)43)38(10,17-16-20(3)4)36(27)50-24(8)42/h15-16,19H,12-14,17-18H2,1-11H3/b29-15-