5-[(2R,6R)-2,6-bis[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]-4-methoxycarbonyl-4-oxidanyl-cyclohexyl]oxy-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2R,6R)-2,6-bis[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]-4-methoxycarbonyl-4-oxidanyl-cyclohexyl]oxy-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(2R,6R)-2,6-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxy-4-methoxycarbonyl-cyclohexoxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid CAS Name: 5-[(2R,6R)-2,6-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-4-hydroxy-4-methoxycarbonylcyclohexyl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid IUPAC Name: 5-[(2R,6R)-2,6-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxy-4-methoxycarbonylcyclohexyl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid Traditional Name: 5-[(2R,6R)-4-carbomethoxy-2,6-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-4-hydroxy-cyclohexoxy]-3-hydroxy-5-keto-3-methyl-valeric acid Formula: C32H34O16 MolecularWeight: 674.60276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(CC(=O)OC1C(CC(CC1OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)OC)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

Isomeric SMILES

CC(O)(CC(=O)OC1[C@@H](CC(C[C@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(O)C(=O)OC)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CC(=O)O

InChI

InChI=1S/C32H34O16/c1-31(43,15-25(37)38)16-28(41)48-29-23(46-26(39)9-5-17-3-7-19(33)21(35)11-17)13-32(44,30(42)45-2)14-24(29)47-27(40)10-6-18-4-8-20(34)22(36)12-18/h3-12,23-24,29,33-36,43-44H,13-16H2,1-2H3,(H,37,38)/b9-5+,10-6+/t23-,24-,29?,31?,32?/m1/s1