(-)-Stercobilin

CAS Registry Number®

34217-90-8

CAS Name

(-)-Stercobilin

Molecular Formula

C33H46N4O6

Molecular Mass

594.74

Cite this Page

(-)-Stercobilin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34217-90-8 (retrieved 2024-11-28) (CAS RN: 34217-90-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    236 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=DEEUSUJLZQQESV-BQUSTMGCSA-N

SMILES

C(\C1=C(CCC(O)=O)C(C)=C(C[C@H]2[C@H](CC)[C@@H](C)C(=O)N2)N1)=C\3/C(CCC(O)=O)=C(C)C(C[C@H]4[C@H](C)[C@@H](CC)C(=O)N4)=N3

Canonical SMILES

O=C(O)CCC=1C(N=C(C1C)CC2NC(=O)C(CC)C2C)=CC=3NC(=C(C3CCC(=O)O)C)CC4NC(=O)C(C)C4CC

Other Names for this Substance

  • 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)-
  • Biline-8,12-dipropionic 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-, (-)-
  • Stercobilin
  • Stercobilin IXα
  • (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-dipropanoic acid

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Deleted or Replaced CAS Registry Numbers

531-13-5, 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

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