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Substance Name: Chasmaconitine
RN: 6846-46-4
InChIKey: SENAVQJHBYGFIW-RNDQQCMWSA-N

Molecular Formula

  • C34-H47-N-O9

Molecular Weight

  • 613.7433
 
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Names and Synonyms

Results Name

  • Chasmaconitine

Synonyms

  • 16-Ethyl-1,6,19-trimethoxy-4-(methoxymethyl)aconitane-8,10,11-triol 8-acetate 10-benzoate, (1alpha,6alpha,10alpha,19beta)-
  • 3,15-Dideoxyaconitine
  • 3-Deoxyindaconitine
  • Chasmaconitin

Systematic Name

  • Aconitane-8,10,11-triol, 16-ethyl-1,6,19-trimethoxy-4-(methoxymethyl)-, 8-acetate 10-benzoate, (1alpha,6alpha,10alpha,19beta)-

Registry Numbers

CAS Registry Number

  • 6846-46-4

Other Registry Number

  • 47848-42-0

System Generated Number

  • 0006846464

Structure Descriptors

InChI

1S/C34H47NO9/c1-7-35-17-31(18-39-3)14-13-22(40-4)34-21-15-32(38)23(41-5)16-33(44-19(2)36,25(28(34)35)26(42-6)27(31)34)24(21)29(32)43-30(37)20-11-9-8-10-12-20/h8-12,21-29,38H,7,13-18H2,1-6H3/t21-,22+,23+,24-,25?,26+,27-,28?,29-,31+,32+,33-,34?/m1/s1

InChIKey

SENAVQJHBYGFIW-RNDQQCMWSA-N

Smiles

CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@H](C(C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)c7ccccc7)O)OC)OC(=O)C)OC)OC)COC