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Substance Name: 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, potassium salt (1:2), (3S,4S,21R)-
RN: 72984-35-1
InChIKey: CJQFWZSPVHRZPB-YSIMSTFHSA-L

Molecular Formula

  • C34-H32-N4-O6.2K

Molecular Weight

  • 668.829
 
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Names and Synonyms

Synonym

  • EINECS 277-168-9

Systematic Names

  • 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, dipotassium salt, (3S,4S,21R)-
  • 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, potassium salt (1:2), (3S,4S,21R)-
  • Dipotassium (3S-(3alpha,4beta,21beta))-21-carboxy-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionate

Registry Numbers

CAS Registry Number

  • 72984-35-1

System Generated Number

  • 0072984351

Molecular Formulas

Molecular Formula

  • C34-H32-N4-O6.2K

Molecular Formula Fragments

  • C34-H32-N4-O6
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C34H32N4O6.2K/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;;/h6,10-13,15,19,30,35,38H,1,7-9H2,2-5H3,(H,40,41)(H,43,44);;/q;2*+1/p-2/b21-10-,22-10-,23-11-,24-12-,25-11-,26-12-,31-29-;;/t15-,19-,30+;;/m0../s1

InChIKey

CJQFWZSPVHRZPB-YSIMSTFHSA-L

Smiles

[K+].c12c3c(C)c(cc4nc(cc5[nH]c(c(C)c5C=C)cc5[C@H]([C@@H](c(n5)c1[C@H](C3=O)C([O-])=O)CCC([O-])=O)C)C(C=O)=C4CC)[nH]2.[K+]