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Substance Name: Copper-pheophytin B
RN: 24111-17-9
InChIKey: IZRGTQBKVUGEAE-HXAPHQIMSA-M

Molecular Formula

  • C55-H70-Cu-N4-O6

Molecular Weight

  • 946.726
 
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Names and Synonyms

Results Name

  • Copper-pheophytin B

Synonyms

  • Copper - pheophytin B
  • Copper(II) chlorophyll b
  • EINECS 246-020-5

Systematic Names

  • Copper, ((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN23,kappaN24,kappaN25,kappaN26)-, (SP-4-2)-
  • Copper, (3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26)-, (SP-4-2-(3S-(3alpha(2E,7S*,11S*),4beta,21beta)))-

Registry Numbers

CAS Registry Number

  • 24111-17-9

Other Registry Numbers

  • 15280-33-8
  • 15739-03-4
  • 16828-14-1

System Generated Number

  • 0024111179

Structure Descriptors

InChI

1S/C55H71N4O6.Cu/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;

InChIKey

IZRGTQBKVUGEAE-HXAPHQIMSA-M

Smiles

[Cu+2].n1c2C(=C(CC)c1cc1c(c3c(c(c4[C@@H]([C@@H](c(n4)cc4[n-]c(c2)c(C=C)c4C)C)CCC(OC\C=C(/C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)=O)[C@@H](C3=O)C(=O)OC)[n-]1)C)C=O