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Substance Name: Canarigenone
RN: 1247-04-7
InChIKey: PDHLJIBDBNGBOL-QZGNAIIZSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C23-H30-O4

Molecular Weight

  • 370.486
 
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Names and Synonyms

Results Name

  • Canarigenone

Synonyms

  • 5-Anhydroperiplogenone
  • Anhydroperiplogenone
  • Canarigenone
  • delta(sup 4)-3-Oxodigitoxigenin
  • delta(sup 4)-Digitoxigenone
  • EINECS 214-994-0

Systematic Names

  • 17-Hydroxy-3-oxocarda-4,20(22)-dienolide
  • Carda-4,20(22)-dienolide, 14-hydroxy-3-oxo-

Registry Numbers

CAS Registry Number

  • 1247-04-7

System Generated Number

  • 0001247047

Structure Descriptors

InChI

1S/C23H30O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11-12,17-19,26H,3-10,13H2,1-2H3/t17-,18+,19-,21+,22-,23+/m1/s1

InChIKey

PDHLJIBDBNGBOL-QZGNAIIZSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)CC[C@@]2([C@@H](C=2COC(C2)=O)C1)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 1338ug/kg (1.338mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.