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Substance Name: Gymnaconitine
RN: 103956-41-8
InChIKey: OSGULNOCFPGGSK-CSKARUKUSA-N

Note

  • From Aconitum gymnandrum.

Molecular Formula

  • C34-H47-N-O8

Molecular Weight

  • 597.744
 
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Names and Synonyms

Name of Substance

  • Gymnaconitine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103956-41-8

System Generated Number

  • 0103956418

Structure Descriptors

InChI

1S/C34H47NO8/c1-6-35-17-32(18-39-2)12-11-27(36)34-21-14-20-25(42-5)16-33(38,22(31(34)35)15-26(32)34)29(21)30(20)43-28(37)10-8-19-7-9-23(40-3)24(13-19)41-4/h7-10,13,20-22,25-27,29-31,36,38H,6,11-12,14-18H2,1-5H3/b10-8+

InChIKey

OSGULNOCFPGGSK-CSKARUKUSA-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)O)CC)OC