(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy}propanoic acid

CAS: 1167424-31-8

Formula: C37H32O16

SMILES: COC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)[C@H]1[C@@H](OC2=C1C(C=CC(=O)O[C@H](CC1=CC=C(O)C(O)=C1)C(O)=O)=CC=C2O)C1=CC=C(O)C(O)=C1

IUPAC: (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy}propanoic acid

InChI: InChI=1S/C37H32O16/c1-50-36(48)29(15-18-3-8-22(39)26(43)13-18)52-37(49)32-31-19(4-10-24(41)34(31)53-33(32)20-5-9-23(40)27(44)16-20)6-11-30(45)51-28(35(46)47)14-17-2-7-21(38)25(42)12-17/h2-13,16,28-29,32-33,38-44H,14-15H2,1H3,(H,46,47)/b11-6+/t28-,29-,32-,

Composition: C (60.66%), H (4.40%), O (34.94%)

Molar Mass: 732.647

Atom Count: 85

Heavy Atom Count: 53