Pheophorbide b

CAS Registry Number®

20239-99-0
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CAS Name

Pheophorbide b

Molecular Formula

C35H34N4O6

Molecular Mass

606.67

Cite this Page

Pheophorbide b.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20239-99-0 (retrieved 2024-09-20) (CAS RN: 20239-99-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36,39H,1,8-10H2,2-6H3,(H,41,42)/b22-11?,23-11-,24-12-,25-13?,26-12?,27-13-,32-30?/t16-,20-,31+/m0/s1

InChIKey

InChIKey=PROPHBCDMQAJMH-NPVQMIBKSA-N

SMILES

C(OC)(=O)[C@@H]1C=2C3=C(C1=O)C(C)=C(N3)C=C4C(CC)=C(C=O)C(=N4)C=C5NC(=CC6=NC2[C@@H](CCC(O)=O)[C@@H]6C)C(C)=C5C=C

Canonical SMILES

O=CC=1C=2N=C(C=C3NC=4C(C(=O)C(C(=O)OC)C4C5=NC(=CC=6NC(C2)=C(C=C)C6C)C(C)C5CCC(=O)O)=C3C)C1CC

Other Names for this Substance

  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)-
  • 3-Phorbinepropionic acid, 21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinyl-, 21-methyl ester
  • Pheophorbide b
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, [3S-(3α,4β,21β)]-
  • (3S,4S,21R)-9-Ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid

Deleted or Replaced CAS Registry Numbers

603-18-9