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Substance Name: Ajadine
RN: 58480-81-2
InChIKey: QFEWDYKEKVVRHZ-PFDZJBSASA-N

Molecular Formula

  • C35-H48-N2-O10

Molecular Weight

  • 656.7682
 
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Names and Synonyms

Results Name

  • Ajadine

Synonyms

  • Ajadine
  • N,O14-Diacetyldelectine
  • O14-Demethylajacine 14-acetate

Systematic Name

  • Aconitane-7,8-14-triol, 4-(((2-(acetylamino)benzoyl)oxy)methyl)-20-ethyl-1,6,16-trimethoxy-, 14-acetate, (1alpha,6beta,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 58480-81-2

System Generated Number

  • 0058480812

Structure Descriptors

InChI

1S/C35H48N2O10/c1-7-37-16-32(17-46-30(40)20-10-8-9-11-23(20)36-18(2)38)13-12-25(44-5)34-22-14-21-24(43-4)15-33(41,26(22)27(21)47-19(3)39)35(42,31(34)37)29(45-6)28(32)34/h8-11,21-22,24-29,31,41-42H,7,12-17H2,1-6H3,(H,36,38)/t21-,22?,24+,25-,26?,27?,28?,29+,31?,32+,33-,34+,35?/m1/s1

InChIKey

QFEWDYKEKVVRHZ-PFDZJBSASA-N

Smiles

CCN1C[C@@]2(CC[C@H]([C@@]34C2[C@@H](C(C31)([C@]5(C[C@@H]([C@H]6CC4C5C6OC(=O)C)OC)O)O)OC)OC)COC(=O)c7ccccc7NC(=O)C