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Substance Name: 3-Epibufalin
RN: 465-20-3
InChIKey: QEEBRPGZBVVINN-SIBWXOBNSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C24-H34-O4

Molecular Weight

  • 386.5286
 
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Names and Synonyms

Results Name

  • 3-Epibufalin

Synonyms

  • 3-alpha,14-Dihydroxy-5-beta-bufa-20,22-dienolide
  • 3-epi-Bufalin
  • 3-Epibufalin
  • NSC 248518

Systematic Names

  • 5-beta-Bufa-20,22-dienolide, 3-alpha,14-dihydroxy-
  • Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-alpha,5-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 465-20-3

System Generated Number

  • 0000465203

Structure Descriptors

InChI

1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17-,18-,19+,20-,22+,23-,24+/m1/s1

InChIKey

QEEBRPGZBVVINN-SIBWXOBNSA-N

Smiles

C1[C@@]2([C@@]([C@H](c3ccc(=O)oc3)C1)(CC[C@@H]1[C@@H]2CC[C@H]2[C@@]1(CC[C@H](C2)O)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 970ug/kg (0.97mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 190, 1963.