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Substance Name: Cannogenol-3-O-beta-D-allomethyloside
RN: 546-02-1
InChIKey: WPVGSIBYLZQSIK-VEZJFPMXSA-N

Note

  • Cardenolide from Convallaria majalis L.

Molecular Formula

  • C29-H44-O9

Molecular Weight

  • 536.658
 
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Names and Synonyms

Name of Substance

  • Cannogenol-3-O-beta-D-allomethyloside

Synonyms

  • Card-20(22)-enolide, 3-((6-deoxy-D-allopyranosyl)oxy)-14,19-dihydroxy-, (3-beta,5-alpha)-
  • Coroglaucigenin-D-allomethylosid
  • Coroglaucigenin-D-allomethylosid [German]
  • Frugosid
  • Frugosid [German]

Systematic Names

  • Card-20(22)-enolide, 3-((6-deoxy-D-allopyranosyl)oxy)-14,19-dihydroxy-, (3beta,5alpha)-
  • Frugoside

Registry Numbers

CAS Registry Number

  • 546-02-1

System Generated Number

  • 0000546021

Structure Descriptors

InChI

1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15-,17-,18+,19-,20+,21-,23-,24-,25-,26?,27-,28-,29+/m1/s1

InChIKey

WPVGSIBYLZQSIK-VEZJFPMXSA-N

Smiles

C1[C@H](O[C@@H]2O[C@@H]([C@H]([C@H]([C@H]2O)O)O)C)C[C@@H]2[C@@](C1)([C@@H]1[C@H]([C@]3(O)[C@@](CC1)(C)[C@@H](C1=CC(OC1)=O)CC3)CC2)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 160ug/kg (0.16mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.