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Substance Name: EINECS 243-045-3
RN: 19426-70-1
InChIKey: YHWYWUOREIAFEI-UHFFFAOYSA-L

Molecular Formula

  • C35-H33-Cu-N4-O5.H

Molecular Weight

  • 654.223
 
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Names and Synonyms

Results Name

  • EINECS 243-045-3

Synonym

  • EINECS 243-045-3

Systematic Names

  • Cuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen (1:1), (SP-4-2)-
  • Cuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen, (SP-4-2)-
  • Hydrogen (3S-(3alpha,4beta,21beta))-(14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionato(3-)-N23,N24,N25,N26)cuprate(1-)

Registry Numbers

CAS Registry Number

  • 19426-70-1

System Generated Number

  • 0019426701

Molecular Formulas

Molecular Formula

  • C35-H33-Cu-N4-O5.H

Molecular Formula Fragments

  • C35-H33-Cu-N4-O5
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C35H36N4O5.Cu/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2

InChIKey

YHWYWUOREIAFEI-UHFFFAOYSA-L

Smiles

c12c3c(C)c(cc4nc(cc5c(c(c([n-]5)cc5[C@@H]([C@@H](c(n5)c1[C@@H](C3=O)C(=O)OC)CCC(=O)[O-])C)C)C=C)C(C)=C4CC)[n-]2.[Cu+2]