Analyte Name

Bisphenol A 4-O-4’-O-Di(tri-O-benzoyl-beta-D-glucuronic Acid Methyl Ester)

Molecular Formula

C71H60O20

Molecular Weight

1233.22

Accurate Mass

1232.37

SMILES

CC(C1=CC=C(O[C@H]2[C@H](OC(C3=CC=CC=C3)=O)[C@@H](OC(C4=CC=CC=C4)=O)[C@H](OC(C5=CC=CC=C5)=O)[C@@H](C(OC)=O)O2)C=C1)(C)C6=CC=C(O[C@H]7[C@H](OC(C8=CC=CC=C8)=O)[C@@H](OC(C9=CC=CC=C9)=O)[C@H](OC(C%10=CC=CC=C%10)=O)[C@@H](C(OC)=O)O7)C=C6

InChI

InChI=1S/C71H60O20/c1-71(2,49-35-39-51(40-36-49)82-69-59(88-65(76)47-31-19-9-20-32-47)55(86-63(74)45-27-15-7-16-28-45)53(57(90-69)67(78)80-3)84-61(72)43-23-11-5-12-24-43)50-37-41-52(42-38-50)83-70-60(89-66(77)48-33-21-10-22-34-48)56(87-64(75)46-29-17-8-18-30-46)54(58(91-70)68(79)81-4)85-62(73)44-25-13-6-14-26-44/h5-42,53-60,69-70H,1-4H3/t53?,54?,55?,56?,57?,58?,59?,60?,69-,70-/m1/s1

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat