(2S,3R,4S)-2-[(1S)-1-[(5S,6R)-5-acetyloxy-6-methyl-4-methylidene-7-phenyl-heptanoyl]oxy-2-oxidanyl-2-oxidanylidene-ethyl]-4-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-3-oxidanyl-5-oxidanylidene-oxolane-2,3-dicarboxylic acid

Systemtic Name: (2S,3R,4S)-2-[(1S)-1-[(5S,6R)-5-acetyloxy-6-methyl-4-methylidene-7-phenyl-heptanoyl]oxy-2-oxidanyl-2-oxidanylidene-ethyl]-4-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-3-oxidanyl-5-oxidanylidene-oxolane-2,3-dicarboxylic acid Openeye Name: (2S,3R,4S)-2-[(1S)-1-[(5S,6R)-5-acetoxy-6-methyl-4-methylene-7-phenyl-heptanoyl]oxy-2-hydroxy-2-oxo-ethyl]-4-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-3-hydroxy-5-oxo-tetrahydrofuran-2,3-dicarboxylic acid CAS Name: (2S,3R,4S)-2-[(1S)-1-[(5S,6R)-5-acetyloxy-6-methyl-4-methylene-1-oxo-7-phenylheptoxy]-2-hydroxy-2-oxoethyl]-4-[(E,4S,6S)-4,6-dimethyl-1-oxooct-2-enoxy]-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid IUPAC Name: (2S,3R,4S)-2-[(1S)-1-[(5S,6R)-5-acetyloxy-6-methyl-4-methylidene-7-phenylheptanoyl]oxy-2-hydroxy-2-oxoethyl]-4-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid Traditional Name: (2S,3R,4S)-2-[(1S)-1-[4-[(1S,2R)-1-acetoxy-2-methyl-3-phenyl-propyl]pent-4-enoyloxy]-2-hydroxy-2-keto-ethyl]-4-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-3-hydroxy-5-keto-tetrahydrofuran-2,3-dicarboxylic acid Formula: C35H44O15 MolecularWeight: 704.71486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)C=CC(=O)OC1C(=O)OC(C1(C(=O)O)O)(C(C(=O)O)OC(=O)CCC(=C)C(C(C)CC2=CC=CC=C2)OC(=O)C)C(=O)O

Isomeric SMILES

CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1C(=O)O[C@]([C@]1(C(=O)O)O)([C@@H](C(=O)O)OC(=O)CCC(=C)[C@H]([C@H](C)CC2=CC=CC=C2)OC(=O)C)C(=O)O

InChI

InChI=1S/C35H44O15/c1-7-19(2)17-20(3)13-15-25(37)49-29-31(41)50-35(33(44)45,34(29,46)32(42)43)28(30(39)40)48-26(38)16-14-21(4)27(47-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-13,15,19-20,22,27-29,46H,4,7,14,16-18H2,1-3,5-6H3,(H,39,40)(H,42,43)(H,44,45)/b15-13+/t19-,20+,22+,27+,28+,29+,34-,35+/m0/s1