dimethyl (Z)-2-[(7S,8R)-7-acetyloxy-2-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-8-methyl-6-methylidene-1-oxidanyl-3-oxidanylidene-9-phenyl-nonyl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[(7S,8R)-7-acetyloxy-2-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-8-methyl-6-methylidene-1-oxidanyl-3-oxidanylidene-9-phenyl-nonyl]but-2-enedioate Openeye Name: dimethyl (Z)-2-[(7S,8R)-7-acetoxy-2-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-1-hydroxy-8-methyl-6-methylene-3-oxo-9-phenyl-nonyl]but-2-enedioate CAS Name: (Z)-2-[(7S,8R)-7-acetyloxy-2-[(E,4S,6S)-4,6-dimethyl-1-oxooct-2-enoxy]-1-hydroxy-8-methyl-6-methylene-3-oxo-9-phenylnonyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[(7S,8R)-7-acetyloxy-2-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-1-hydroxy-8-methyl-6-methylidene-3-oxo-9-phenylnonyl]but-2-enedioate Traditional Name: (Z)-2-[6-[(1S,2R)-1-acetoxy-2-methyl-3-phenyl-propyl]-2-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-1-hydroxy-3-keto-hept-6-enyl]but-2-enedioic acid dimethyl ester Formula: C35H48O10 MolecularWeight: 628.74962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)C=CC(=O)OC(C(C(=CC(=O)OC)C(=O)OC)O)C(=O)CCC(=C)C(C(C)CC1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CC[C@H](C)C[C@H](C)/C=C/C(=O)OC(C(/C(=C/C(=O)OC)/C(=O)OC)O)C(=O)CCC(=C)[C@H]([C@H](C)CC1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C35H48O10/c1-9-22(2)19-23(3)15-18-30(38)45-34(32(40)28(35(41)43-8)21-31(39)42-7)29(37)17-16-24(4)33(44-26(6)36)25(5)20-27-13-11-10-12-14-27/h10-15,18,21-23,25,32-34,40H,4,9,16-17,19-20H2,1-3,5-8H3/b18-15+,28-21-/t22-,23+,25+,32?,33+,34?/m0/s1