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Substance Name: Bilirubin xyloside
RN: 36570-69-1
InChIKey: KSEFILCGLFHYCA-QJPXZCHJSA-N

Molecular Weight

  • 716.784
 
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Names and Synonyms

Name of Substance

  • Bilirubin xyloside

Systematic Name

  • 21H-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-xylopyranosyl ester

Registry Numbers

CAS Registry Number

  • 36570-69-1

System Generated Number

  • 0036570691

Structure Descriptors

InChI

1S/C38H44N4O10/c1-7-21-20(6)36(49)42-28(21)14-26-18(4)23(9-11-32(44)45)29(40-26)15-30-24(10-12-33(46)52-38-35(48)34(47)31(43)16-51-38)19(5)25(39-30)13-27-17(3)22(8-2)37(50)41-27/h7-8,13-14,31,34-35,38-40,43,47-48H,1-2,9-12,15-16H2,3-6H3,(H,41,50)(H,42,49)(H,44,45)/b27-13-,28-14+/t31-,34+,35-,38+/m1/s1

InChIKey

KSEFILCGLFHYCA-QJPXZCHJSA-N

Smiles

C1[C@@H](O)[C@@H]([C@H]([C@@H](OC(=O)CCc2c(c([nH]c2Cc2[nH]c(c(c2CCC(O)=O)C)\C=C2\NC(C(=C2C=C)C)=O)\C=C2/NC(C(C=C)=C2C)=O)C)O1)O)O