21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (4R,16R)-

CAS Registry Number®

3947-38-4

CAS Name

21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (4R,16R)-

Molecular Formula

C33H40N4O6

Molecular Mass

588.69

Cite this Page

21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (4R,16R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3947-38-4 (retrieved 2024-11-25) (CAS RN: 3947-38-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40N4O6/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/h8,15,26-27,35H,2,7,9-14H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)

InChIKey

InChIKey=DOKCNDVEPDZOJQ-UHFFFAOYSA-N

SMILES

C(C1=C(CCC(O)=O)C(C)=C(CC2C(CC)=C(C)C(=O)N2)N1)=C3C(CCC(O)=O)=C(C)C(CC4C(C)=C(C=C)C(=O)N4)=N3

Canonical SMILES

O=C1NC(C(=C1C=C)C)CC2=NC(=CC=3NC(=C(C3CCC(=O)O)C)CC4NC(=O)C(=C4CC)C)C(=C2C)CCC(=O)O

Other Names for this Substance

  • 21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (4R,16R)-
  • d-Urobilin
  • d-Urobilin (C33H40N4O6 biline)
  • (+)-Urobilin

Deleted or Replaced CAS Registry Numbers

10557-32-1, 30640-33-6, 31175-87-8, 34217-93-1, 53152-71-9

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