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Substance Name: 19-O-Monoacetylbovosidol A
RN: 100991-79-5
InChIKey: VVXLGXLIYXVAFC-XUJHSIKGSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C33-H48-O10

Molecular Weight

  • 604.732
 
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Names and Synonyms

Results Name

  • 19-O-Monoacetylbovosidol A

Synonyms

  • 19-O-Monoacetylbovosidol A
  • 19-O-Monoacetylbovosidol A [German]
  • 4-18-00-02558 (Beilstein Handbook Reference)
  • BRN 0073762

Systematic Name

  • Bufa-20,22-dienolide, 19-(acetyloxy)-3-((6-deoxy-3-O-methyl-D-glucopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 100991-79-5

Other Registry Number

  • 101054-23-3

System Generated Number

  • 0100991795

Structure Descriptors

InChI

1S/C33H48O10/c1-18-27(36)29(39-4)28(37)30(42-18)43-22-9-13-32(17-41-19(2)34)21(15-22)6-7-25-24(32)10-12-31(3)23(11-14-33(25,31)38)20-5-8-26(35)40-16-20/h5,8,16,18,21-25,27-30,36-38H,6-7,9-15,17H2,1-4H3/t18?,21-,22+,23-,24?,25?,27-,28?,29?,30+,31-,32-,33+/m1/s1

InChIKey

VVXLGXLIYXVAFC-XUJHSIKGSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](c5ccc(=O)oc5)CC4)(C)CC3)O)CC[C@@H]2C[C@H](O[C@H]2[C@@H]([C@H]([C@H](O)[C@@H](O2)C)OC)O)C1)COC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 1370ug/kg (1.37mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 192, 1963.