Pyropheophorbide a

CAS Registry Number®

24533-72-0
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CAS Name

Pyropheophorbide a

Molecular Formula

C33H34N4O3

Molecular Mass

534.65

Cite this Page

Pyropheophorbide a.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24533-72-0 (retrieved 2024-09-19) (CAS RN: 24533-72-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12?,24-13-,25-12-,26-14-,27-13?,28-14?,32-22?/t17-,21-/m0/s1

InChIKey

InChIKey=IEGUQQKIFBYXLG-JMEOOALISA-N

SMILES

CC=1C2=C3C(=C4[C@@H](CCC(O)=O)[C@H](C)C(=N4)C=C5NC(=CC6=NC(=CC1N3)C(CC)=C6C)C(C=C)=C5C)CC2=O

Canonical SMILES

O=C(O)CCC1C2=NC(=CC=3NC(C=C4N=C(C=C5NC=6C(C(=O)CC62)=C5C)C(=C4C)CC)=C(C=C)C3C)C1C

Other Names for this Substance

  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S)-
  • Pyropheophorbide a
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S-trans)-
  • (3S,4S)-9-Ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid
  • Pyrophaeophorbid A

Deleted or Replaced CAS Registry Numbers

605-98-1, 764671-33-2, 2611481-26-4, 2765587-67-3