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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-((D-glucopyranosyl)oxy)-5,14-dihydroxy-
RN: 18531-44-7
InChIKey: FECZMYDDHKVQIA-UGUGHJNJSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C29-H44-O10

Molecular Weight

  • 552.657
 
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Names and Synonyms

Synonyms

  • 5,14-Dihydroxy-3-beta-((D-glucopyranosyl)oxy)-5-beta-card-20(22)-enolide
  • Periplogenin-beta-d-glucoside
  • Periplogenin-D-glucosid
  • Periplogenin-D-glucosid [German]

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-((D-glucopyranosyl)oxy)-5,14-dihydroxy-

Registry Numbers

CAS Registry Number

  • 18531-44-7

System Generated Number

  • 0018531447

Structure Descriptors

InChI

1S/C29H44O10/c1-26-7-3-16(38-25-24(34)23(33)22(32)20(13-30)39-25)12-28(26,35)9-5-19-18(26)4-8-27(2)17(6-10-29(19,27)36)15-11-21(31)37-14-15/h11,16-20,22-25,30,32-36H,3-10,12-14H2,1-2H3/t16-,17+,18?,19?,20?,22+,23?,24?,25+,26+,27+,28-,29-/m0/s1

InChIKey

FECZMYDDHKVQIA-UGUGHJNJSA-N

Smiles

C1[C@@H]2[C@@]3([C@@]([C@@H](C4=CC(=O)OC4)CC3)(CC[C@@H]2[C@@]2([C@@](C[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)CC2)(O)C1)C)C)O

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. 193, 1963.