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Substance Name: Ligularizine
RN: 90364-92-4
InChIKey: RNNVXCSFOWGBQP-LJUHYIOWSA-N

Classification Codes

  • Mutation Data
  • Natural Product

Molecular Formula

  • C21-H29-N-O8

Molecular Weight

  • 423.459
 
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Names and Synonyms

Results Name

  • Ligularizine

Synonyms

  • 12-Epipetasitenine acetate
  • CCRIS 5788
  • Ligularizine

Systematic Names

  • 4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-15,20-epoxy-4-methyl-, (12-beta,15-beta,20S)
  • Ligularizine

Registry Numbers

CAS Registry Number

  • 90364-92-4

System Generated Number

  • 0090364924

Structure Descriptors

InChI

1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20+,21?/m1/s1

InChIKey

RNNVXCSFOWGBQP-LJUHYIOWSA-N

Smiles

O1[C@@H]2CC[N@@](CC=C(COC([C@@]([C@@H](C[C@@]3(C1=O)O[C@@H]3C)C)(C)OC(=O)C)=O)C2=O)C