Nombre del analito

4’-O-Benzyl Bisphenol A beta-D-Glucuronic Acid Methyl Ester

Fórmula molecular

C29 H32 O8

Peso molecular

508.56

Masa exacta

508.21

SMILES

COC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)C(C)(C)c3ccc(OCc4ccccc4)cc3)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C29H32O8/c1-29(2,19-9-13-21(14-10-19)35-17-18-7-5-4-6-8-18)20-11-15-22(16-12-20)36-28-25(32)23(30)24(31)26(37-28)27(33)34-3/h4-16,23-26,28,30-32H,17H2,1-3H3/t23-,24-,25+,26-,28+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]oxane-2-carboxylate

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat