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Substance Name: Methylgymnaconitine
RN: 103956-42-9
InChIKey: WLRWZOWXGYYWOQ-PKNBQFBNSA-N

Note

  • From Aconitum gymnandrum.

Molecular Formula

  • C35-H49-N-O8

Molecular Weight

  • 611.771
 
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Names and Synonyms

Name of Substance

  • Methylgymnaconitine

Systematic Name

  • Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-4-(methoxymethyl)-, 14-(3-(3,4-dimethoxyphenyl)-2-propenoate), (1alpha,14alpha(E),16beta)-

Registry Numbers

CAS Registry Number

  • 103956-42-9

System Generated Number

  • 0103956429

Structure Descriptors

InChI

1S/C35H49NO8/c1-7-36-18-33(19-39-2)13-12-28(43-6)35-22-15-21-26(42-5)17-34(38,23(32(35)36)16-27(33)35)30(22)31(21)44-29(37)11-9-20-8-10-24(40-3)25(14-20)41-4/h8-11,14,21-23,26-28,30-32,38H,7,12-13,15-19H2,1-6H3/b11-9+

InChIKey

WLRWZOWXGYYWOQ-PKNBQFBNSA-N

Smiles

C([C@@]12C[N@@]([C@@H]3[C@@]4([C@@H]1C[C@@H]3[C@@]1(O)C[C@@H](OC)[C@@H]3C[C@@H]4[C@@H]1[C@@H]3OC(\C=C\c1ccc(c(c1)OC)OC)=O)[C@@H](CC2)OC)CC)OC