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Substance Name: Pheophorbide b
RN: 20239-99-0
InChIKey: PROPHBCDMQAJMH-HSJXTSEBSA-N

Note

  • Split product of chlorophyll obtained by saponification of pheophytin.

Molecular Formula

  • C35-H34-N4-O6

Molecular Weight

  • 606.676
 
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Names and Synonyms

Name of Substance

  • Pheophorbide b

Synonyms

  • EINECS 243-626-1
  • NSC 75782

Systematic Names

  • (3S-(3alpha,4beta,21beta))-14-Ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionic acid
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)-

Registry Numbers

CAS Registry Number

  • 20239-99-0

Other Registry Number

  • 603-18-9

System Generated Number

  • 0020239990

Structure Descriptors

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

PROPHBCDMQAJMH-HSJXTSEBSA-N

Smiles

[nH]1c2c(C)c(c1cc1C(=C(CC)c(cc3c(c4C([C@@H](c(c5[C@H]([C@H](C)c(n5)c2)CCC(O)=O)c4[nH]3)C(OC)=O)=O)C)n1)C=O)C=C