trimethyl (1S,3S,4S,5R,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-6-[(E)-4,6-dimethyloct-2-enoyl]oxy-4,7-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Systemtic Name: trimethyl (1S,3S,4S,5R,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-6-[(E)-4,6-dimethyloct-2-enoyl]oxy-4,7-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Openeye Name: trimethyl (1S,3S,4S,5R,6R,7R)-1-(4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-[(E)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate CAS Name: (1S,3S,4S,5R,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylene-6-phenylhexyl)-6-[(E)-4,6-dimethyl-1-oxooct-2-enoxy]-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1S,3S,4S,5R,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl)-6-[(E)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Traditional Name: (1S,3S,4S,5R,6R,7R)-1-[3-(1-acetoxy-2-methyl-3-phenyl-propyl)but-3-enyl]-6-[(E)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid trimethyl ester Formula: C38H52O14 MolecularWeight: 732.81108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC)(C(=O)OC)O)C(=O)OC)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)O

Isomeric SMILES

CCC(C)CC(C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)OC)(C(=O)OC)O)C(=O)OC)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)O

InChI

InChI=1S/C38H52O14/c1-10-22(2)20-23(3)16-17-28(40)50-31-30(41)36(19-18-24(4)29(49-26(6)39)25(5)21-27-14-12-11-13-15-27)51-32(33(42)46-7)37(45,34(43)47-8)38(31,52-36)35(44)48-9/h11-17,22-23,25,29-32,41,45H,4,10,18-21H2,1-3,5-9H3/b17-16+/t22?,23?,25?,29?,30-,31-,32-,36+,37-,38+/m1/s1