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Substance Name: Stercobilin
RN: 34217-90-8
UNII: 17G380DO11
InChIKey: DEEUSUJLZQQESV-BQUSTMGCSA-N

Molecular Formula

  • C33-H46-N4-O6

Molecular Weight

  • 594.7484
 
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Names and Synonyms

Name of Substance

  • Stercobilin

Synonyms

  • EINECS 251-887-8
  • Stercobilin
  • Stercobilin IX
  • UNII-17G380DO11

Systematic Names

  • (2R,3R,4S,16S,17R,18R)-3,18-Diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
  • 21H-Biline-8,12-dipropanoic acid, 3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3R,4S,16S,17R,18R)-

Registry Numbers

CAS Registry Number

  • 34217-90-8

FDA UNII

  • 17G380DO11

Other Registry Numbers

  • 11040-32-7
  • 13671-96-0
  • 13857-56-2
  • 13857-57-3
  • 20751-36-4
  • 25021-22-1
  • 30505-51-2
  • 34786-57-7
  • 47846-65-1
  • 531-13-5

System Generated Number

  • 0034217908

Structure Descriptors

InChI

1S/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t16-,19-,20-,21-,26+,27+/m1/s1

InChIKey

DEEUSUJLZQQESV-BQUSTMGCSA-N

Smiles

CC[C@@H]1[C@@H](C)C(=O)N[C@H]1Cc2[nH]c(\C=C\3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C