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Substance Name: Methylpheophorbide
RN: 5594-30-9
InChIKey: IWKYEJKHXKRZIJ-OLCCKFCBSA-N

Note

  • Split product of chlorophyll obtained by saponification of pheophytin.

Molecular Formula

  • C36-H38-N4-O5

Molecular Weight

  • 606.719
 
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Names and Synonyms

Name of Substance

  • Methylpheophorbide

Synonyms

  • EINECS 227-007-3
  • Methyl phaeophorbide
  • Methyl phaeophorbide A
  • NSC 407320
  • Phaeophorbid A, methyl ester

Systematic Names

  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, methyl ester, (3S-(3alpha,4beta,21beta))-
  • 3-Phorbinepropionic acid, 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-, dimethyl ester (VAN) (8CI)
  • Methyl (3S-(3alpha,4beta,21beta))-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionate

Registry Numbers

CAS Registry Number

  • 5594-30-9

System Generated Number

  • 0005594309

Structure Descriptors

InChI

1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37,40H,1,10-12H2,2-8H3/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,33-31-

InChIKey

IWKYEJKHXKRZIJ-OLCCKFCBSA-N

Smiles

c12c3c(c(C)c([nH]3)cc3nc(C(=C3CC)C)cc3[nH]c(cc4nc2[C@@H]([C@@H]4C)CCC(=O)OC)c(c3C=C)C)C([C@@H]1C(=O)OC)=O