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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-12-oxo-, 3-acetate
RN: 2842-86-6
InChIKey: SZLQWLYPPPPWKF-GEVRZZSESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H34-O6

Molecular Weight

  • 430.538
 
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Names and Synonyms

Synonyms

  • 3-Acetyl-12-dehydrodigoxigenin
  • 3-beta,14-Dihydroxy-12-oxo-5-beta-card-20(22)-enolide 3-acetate
  • 4-18-00-02546 (Beilstein Handbook Reference)
  • BRN 0063744

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-12-oxo-, 3-acetate

Registry Numbers

CAS Registry Number

  • 2842-86-6

System Generated Number

  • 0002842866

Structure Descriptors

InChI

1S/C25H34O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-20,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19?,20?,23+,24+,25+/m1/s1

InChIKey

SZLQWLYPPPPWKF-GEVRZZSESA-N

Smiles

C1[C@@]2([C@@]([C@H](C=3COC(C3)=O)C1)(C(C[C@@H]1[C@@H]2CC[C@H]2[C@@]1(CC[C@@H](C2)OC(C)=O)C)=O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
pigeon LDLo parenteral 9300ug/kg (9.3mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 18, 1960.