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Substance Name: Ranaconitine
RN: 1360-76-5
InChIKey: XTSVKUJYTUPYRJ-QQHZJSBHSA-N

Note

  • From Aconitum sinomontanum var. angustius W.T. Wang.

Molecular Formula

  • C32-H44-N2-O9

Molecular Weight

  • 600.7046
 
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Names and Synonyms

Name of Substance

  • Ranaconitine

Systematic Name

  • Aconitane-4,7,8,9-tetrol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-(acetylamino)benzoate), (1alpha,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 1360-76-5

System Generated Number

  • 0001360765

Structure Descriptors

InChI

1S/C32H44N2O9/c1-6-34-16-28(43-26(36)18-9-7-8-10-20(18)33-17(2)35)12-11-24(41-4)31-22-13-19-21(40-3)14-30(38,32(22,39)25(19)42-5)29(37,27(31)34)15-23(28)31/h7-10,19,21-25,27,37-39H,6,11-16H2,1-5H3,(H,33,35)/t19-,21+,22+,23-,24+,25+,27?,28-,29?,30+,31?,32+/m1/s1

InChIKey

XTSVKUJYTUPYRJ-QQHZJSBHSA-N

Smiles

CCN1C[C@@]2(CC[C@@H](C34[C@@H]2CC(C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)O)OC)OC(=O)c7ccccc7NC(=O)C