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Substance Name: Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, potassium (1:2), (SP-4-2)-
RN: 72953-55-0
InChIKey: CTYRTBDUBKXCRU-UHFFFAOYSA-J

Molecular Formula

  • C34-H28-Cu-N4-O6.2K

Molecular Weight

  • 730.359
 
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Names and Synonyms

Synonym

  • EINECS 277-123-3

Systematic Names

  • Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, dipotassium, (SP-4-2)-
  • Cuprate(2-), ((3S,4S,21R)-21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(4-)-kappaN23,kappaN24,kappaN25,kappaN26)-, potassium (1:2), (SP-4-2)-
  • Dipotassium (3S-(3alpha,4beta,21beta))-(21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionato(4-)-N23,N24,N25,N26)cuprate(2-)

Registry Numbers

CAS Registry Number

  • 72953-55-0

System Generated Number

  • 0072953550

Molecular Formulas

Molecular Formula

  • C34-H28-Cu-N4-O6.2K

Molecular Formula Fragments

  • C34-H28-Cu-N4-O6
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C34H32N4O6.Cu.2K/c1-6-17-14(3)21-10-22-15(4)19(8-9-27(40)41)31(37-22)29-30(34(43)44)33(42)28-16(5)23(38-32(28)29)11-25-18(7-2)20(13-39)26(36-25)12-24(17)35-21;;;/h6,10-13,15,19,30H,1,7-9H2,2-5H3,(H4,35,36,37,38,39,40,41,42,43,44);;;/q;+2;2*+1/p-4

InChIKey

CTYRTBDUBKXCRU-UHFFFAOYSA-J

Smiles

C(=O)([C@@H]1c2c3[n-]c(c(c3C1=O)C)cc1nc(cc3c(C=C)c(c([n-]3)cc3nc2[C@@H]([C@@H]3C)CCC([O-])=O)C)C(C=O)=C1CC)[O-].[K+].[Cu+2].[K+]