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Substance Name: Bilirubin glucoside
RN: 36570-68-0
InChIKey: QQDSVHMLLUCFIR-QKIUCEFSSA-N

Molecular Weight

  • 746.809
 
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Names and Synonyms

Name of Substance

  • Bilirubin glucoside

Systematic Name

  • 21H,23H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, mono-beta-D-glucopyranosyl ester

Registry Numbers

CAS Registry Number

  • 36570-68-0

System Generated Number

  • 0036570680

Structure Descriptors

InChI

1S/C39H46N4O11/c1-7-21-20(6)37(50)43-28(21)14-26-19(5)24(10-12-33(46)53-16-31-34(47)35(48)36(49)39(52)54-31)30(41-26)15-29-23(9-11-32(44)45)18(4)25(40-29)13-27-17(3)22(8-2)38(51)42-27/h7-8,13-14,31,34-36,39-41,47-49,52H,1-2,9-12,15-16H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)/b27-13-,28-14+/t31-,34-,35+,36-,39-/m1/s1

InChIKey

QQDSVHMLLUCFIR-QKIUCEFSSA-N

Smiles

O1[C@H](COC(CCc2c(c([nH]c2Cc2[nH]c(c(c2CCC(O)=O)C)\C=C2/NC(C(C=C)=C2C)=O)\C=C2\NC(C(=C2C=C)C)=O)C)=O)[C@@H](O)[C@@H]([C@H](O)[C@@H]1O)O