Phycoerythrobilin

CAS Registry Number®

18097-67-1
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CAS Name

Phycoerythrobilin

Molecular Formula

C33H38N4O6

Molecular Mass

586.68

Cite this Page

Phycoerythrobilin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=18097-67-1 (retrieved 2024-04-25) (CAS RN: 18097-67-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H38N4O6/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/h7-8,14-15,19,26,35H,2,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,27-14-,28-15-/t19-,26-/m1/s1

InChIKey

InChIKey=IGJXAXFFKKRFKU-NDGVYKEISA-N

SMILES

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

Canonical SMILES

O=C(O)CCC=1C(N=C(C1C)CC2NC(=O)C(C=C)=C2C)=CC=3NC(C=C4NC(=O)C(C4=CC)C)=C(C3CCC(=O)O)C

Other Names for this Substance

  • 21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3E,16R)-
  • Biline-8,12-dipropionic acid, 3-ethylidene-1,2,3,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-18-vinyl-
  • (2R,3E,16R)-18-Ethenyl-3-ethylidene-1,2,3,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
  • Phycoerythrobilin
  • 3(E)-Phycoerythrobilin

Deleted or Replaced CAS Registry Numbers

18159-28-9

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