Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-beta-Bufa-20,22-dienolide, 3-beta-((6-deoxy-3-O-methyl-glucopyranosyl)oxy)-5,14-dihydroxy-16,19-dioxo-
RN: 11032-44-3
InChIKey: VEXQUXZSPLIZEG-SXVLGZCUSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C31-H42-O11

Molecular Weight

  • 590.6618
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Bovoruboside
  • Thevetoseglykosid
  • Thevetoseglykosid [German]

Systematic Name

  • 5-beta-Bufa-20,22-dienolide, 3-beta-((6-deoxy-3-O-methyl-glucopyranosyl)oxy)-5,14-dihydroxy-16,19-dioxo-

Registry Numbers

CAS Registry Number

  • 11032-44-3

System Generated Number

  • 0011032443

Structure Descriptors

InChI

1S/C31H42O11/c1-16-24(35)26(39-3)25(36)27(41-16)42-18-6-10-29(15-32)19-7-9-28(2)23(17-4-5-22(34)40-14-17)21(33)13-31(28,38)20(19)8-11-30(29,37)12-18/h4-5,14-16,18-20,23-27,35-38H,6-13H2,1-3H3/t16-,18+,19+,20-,23+,24-,25-,26+,27+,28-,29+,30+,31+/m1/s1

InChIKey

VEXQUXZSPLIZEG-SXVLGZCUSA-N

Smiles

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](C(=O)C[C@@]5([C@@H]4CC[C@@]3(C2)O)O)c6ccc(=O)oc6)C)C=O)O)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 90ug/kg (0.09mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 189, 1963.