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Substance Name: 7-beta-Hydroxydigitoxigenin
RN: 1173-21-3
InChIKey: JDQWKADNJIUBND-ANHVKYHNSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C23-H34-O5

Molecular Weight

  • 390.5166
 
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Names and Synonyms

Name of Substance

  • 7-beta-Hydroxydigitoxigenin

Synonyms

  • 3-beta,7-beta,14-Trihydroxy-5-beta-card-20(22)-enolide
  • 7-beta-Hydroxydigitoxigenin
  • 7-beta-Hydroxydigitoxigenin [German]

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta,7-beta,14-trihydroxy-

Registry Numbers

CAS Registry Number

  • 1173-21-3

Other Registry Number

  • 21857-77-2

System Generated Number

  • 0001173213

Structure Descriptors

InChI

1S/C23H34O5/c1-21-6-3-15(24)10-14(21)11-18(25)20-17(21)4-7-22(2)16(5-8-23(20,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16+,17-,18-,20-,21-,22+,23-/m0/s1

InChIKey

JDQWKADNJIUBND-ANHVKYHNSA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 1850ug/kg (1.85mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 191, 1963.