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Substance Name: Neojiangyouaconitine
RN: 126266-35-1
InChIKey: WXQMJWAPTHUPHW-WNDRHIBVSA-N

Note

  • From aqueous extract of Aconitum carmichaeli Debx.

Molecular Weight

  • 601.7323
 
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Names and Synonyms

Name of Substance

  • Neojiangyouaconitine

Synonym

  • NJYA

Systematic Name

  • Aconitane-13,14,15-triol, 20-ethyl-1,6,8,16-tetramethoxy-4-(methoxymethyl)-, 14-benzoate, (1alpha,6alpha,14alpha,15alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 126266-35-1

System Generated Number

  • 0126266351

Structure Descriptors

InChI

1S/C33H47NO9/c1-7-34-16-30(17-38-2)14-13-20(39-3)32-19-15-31(37)27(43-29(36)18-11-9-8-10-12-18)21(19)33(42-6,26(35)28(31)41-5)22(25(32)34)23(40-4)24(30)32/h8-12,19-28,35,37H,7,13-17H2,1-6H3/t19-,20+,21-,22?,23+,24-,25?,26+,27-,28+,30+,31-,32?,33-/m1/s1

InChIKey

WXQMJWAPTHUPHW-WNDRHIBVSA-N

Smiles

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