CAS: 17459-92-6 - Bilirubin diglucuronide

Formula:C₄₅H₅₂N₄O₁₈

InChI:InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13-,27-14-/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1

InChI key:InChIKey=SCJLWMXOOYZBTH-BTVQFETGSA-N

SMILES:O=C(O)C1OC(OC(=O)CCC2=C(NC(C=C3NC(=O)C(=C3C=C)C)=C2C)CC=4NC(C=C5NC(=O)C(C=C)=C5C)=C(C4CCC(=O)OC6OC(C(=O)O)C(O)C(O)C6O)C)C(O)C(O)C1O

Synonyms:
Bilirubin, di-β-D-glucuronopyranosyl ester
21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, 8,12-di-β-D-glucopyranuronosyl ester
21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, di-β-D-glucopyranuronosyl ester
Bilirubin diglucuronide
Biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-, di-β-D-glucopyranuronosyl ester