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Substance Name: Dimethyl (3S-(3alpha,4beta,21beta))-21-carboxylato-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionate
RN: 5522-71-4
InChIKey: NUQASTRTTSQPAJ-GLLTXCFPSA-N

Molecular Formula

  • C36-H36-N4-O6

Molecular Weight

  • 620.702
 
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Names and Synonyms

Synonym

  • EINECS 226-871-9

Systematic Name

  • Dimethyl (3S-(3alpha,4beta,21beta))-21-carboxylato-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionate

Registry Numbers

CAS Registry Number

  • 5522-71-4

System Generated Number

  • 0005522714

Structure Descriptors

InChI

1S/C36H36N4O6/c1-8-19-16(3)23-12-24-17(4)21(10-11-29(42)45-6)33(39-24)31-32(36(44)46-7)35(43)30-18(5)25(40-34(30)31)13-27-20(9-2)22(15-41)28(38-27)14-26(19)37-23/h8,12-15,17,21,32,37,40H,1,9-11H2,2-7H3/b23-12-,24-12-,25-13-,26-14-,27-13-,28-14-,33-31-

InChIKey

NUQASTRTTSQPAJ-GLLTXCFPSA-N

Smiles

c12c3c(c(C)c([nH]3)cc3nc(C(=C3CC)C=O)cc3[nH]c(cc4nc1[C@@H]([C@@H]4C)CCC(=O)OC)c(c3C=C)C)C([C@@H]2C(=O)OC)=O