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Substance Name: 5-beta-Bufa-20,22-dienolide, 3-beta-((6-deoxy-3-O-methylglucopyranosyl)oxy)-19-oxo-5,11-alpha,14-trihydroxy-
RN: 100991-81-9
InChIKey: AULJFAPENMEQQJ-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C32-H44-O11

Molecular Weight

  • 592.6776
 
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Names and Synonyms

Synonyms

  • Bovokryptosid
  • Bovokryptosid [German]
  • Bovokryptoside
  • Thevetoseglykosid
  • Thevetoseglykosid [German]

Systematic Name

  • 5-beta-Bufa-20,22-dienolide, 3-beta-((6-deoxy-3-O-methylglucopyranosyl)oxy)-19-oxo-5,11-alpha,14-trihydroxy-

Registry Numbers

CAS Registry Number

  • 100991-81-9

System Generated Number

  • 0100991819

Structure Descriptors

InChI

1S/C31H44O11/c1-16-24(35)26(39-3)25(36)27(41-16)42-18-6-9-29(15-32)23-20(7-10-30(29,37)12-18)31(38)11-8-19(28(31,2)13-21(23)33)17-4-5-22(34)40-14-17/h4-5,14-16,18-21,23-27,33,35-38H,6-13H2,1-3H3

InChIKey

AULJFAPENMEQQJ-UHFFFAOYSA-N

Smiles

CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)c6ccc(=O)oc6)O)C=O)O)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 70ug/kg (0.07mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 188, 1963.