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Substance Name: Erysimoside
RN: 7082-34-0
UNII: O8CV79Z4ZL
InChIKey: KQBVSIZPUWODNU-VRQSBXMXSA-N

Note

  • From Adonis mongolica Sim.

Classification Code

  • Natural Product

Molecular Formula

  • C35-H52-O14

Molecular Weight

  • 696.7818
 
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Names and Synonyms

Name of Substance

  • Erysimoside

Synonyms

  • EINECS 230-381-0
  • Erizimoside
  • Erysimoside
  • Neoglucoerysimoside
  • UNII-O8CV79Z4ZL

Systematic Names

  • (3beta,5beta)-3-((2,6-Dideoxy-4-O-beta-D -glucopyranosyl-beta-D -ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
  • Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-glucopyranosyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 7082-34-0

FDA UNII

  • O8CV79Z4ZL

System Generated Number

  • 0007082340

Structure Descriptors

InChI

1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+/m1/s1

InChIKey

KQBVSIZPUWODNU-VRQSBXMXSA-N

Smiles

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 140ug/kg (0.14mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1854, 1972.