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Substance Name: AY 22248
RN: 17059-16-4
UNII: 656SOD88C2
InChIKey: CMHWMOGWFZWDMR-FVGBAMMESA-N

Classification Code

  • Natural Product

Molecular Formula

  • C29-H44-O9

Molecular Weight

  • 536.6576
 
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Names and Synonyms

Name of Substance

  • AY 22248

Synonyms

  • 3-beta-((D-Glucopyranosyl)oxy)-14-hydroxy-5-beta-card-20(22)-enolide
  • 4-18-00-01496 (Beilstein Handbook Reference)
  • AY 22248
  • BRN 0070004
  • Digitoxigenin glucoside
  • Digitoxigenin-beta-d-glucoside
  • Digitoxigenin-D-glucosid
  • Digitoxigenin-D-glucosid [German]
  • Glucodigitoxigenin
  • UNII-656SOD88C2

Systematic Names

  • 3beta-(beta-D-Glucopyranosyl)-14-hydroxy-5beta-card-20(22)-enolide
  • 5-beta-Card-20(22)-enolide, 3-beta-(beta-D-glucopyranosyloxy)-14-hydroxy-

Registry Numbers

CAS Registry Number

  • 17059-16-4

FDA UNII

  • 656SOD88C2

System Generated Number

  • 0017059164

Structure Descriptors

InChI

1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1

InChIKey

CMHWMOGWFZWDMR-FVGBAMMESA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 120ug/kg (0.12mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 190, 1963.