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Substance Name: 5-beta-Card-20(22)enolide, 3-beta-((L-rhamnopyranosyl)oxy)-5,12-beta,14,19-tetrahydroxy-
RN: 102280-99-9
InChIKey: KYNXIMRHBXPXLL-IXMYJFJASA-N

Classification Code

  • Natural Product

Molecular Formula

  • C29-H44-O11

Molecular Weight

  • 568.656
 
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Names and Synonyms

Synonyms

  • 3-beta-((L-Rhamnopyranosyl)oxy)-5,12-beta,14,19-tetrahydroxy-5-beta-card-20(22)enolide
  • AL-Dihydro-beta-antiarin
  • AL-Dihydro-beta-antiarin [German]

Systematic Name

  • 5-beta-Card-20(22)enolide, 3-beta-((L-rhamnopyranosyl)oxy)-5,12-beta,14,19-tetrahydroxy-

Registry Numbers

CAS Registry Number

  • 102280-99-9

System Generated Number

  • 0102280999

Structure Descriptors

InChI

1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,14,16-20,22-25,30-31,33-37H,3-8,10-13H2,1-2H3/t14?,16-,17+,18?,19?,20+,22+,23?,24?,25+,26-,27-,28-,29-/m0/s1

InChIKey

KYNXIMRHBXPXLL-IXMYJFJASA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C5=CC(=O)OC5)CC4)(C)[C@@H](C3)O)O)CC[C@@]2(C[C@H](O[C@@H]2[C@H]([C@H]([C@H](O)[C@@H](O2)C)O)O)C1)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 600ug/kg (0.6mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 190, 1963.