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Substance Name: Card-20(22)-enolide, 3-(acetyloxy)-14-hydroxy-6-methyl-, (3-beta,5-beta,6-alpha)-
RN: 56931-93-2
InChIKey: PJPFWSFGUWXFDK-QTDRMFERSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H38-O5

Molecular Weight

  • 430.5812
 
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Names and Synonyms

Synonyms

  • (3-beta,5-beta,6-alpha)-3-(Acetyloxy)-14-hydroxy-6-methylcard-20(22)-enolide
  • 6-alpha-Methyldigitoxigenin 3-acetate
  • BRN 1272962

Systematic Name

  • Card-20(22)-enolide, 3-(acetyloxy)-14-hydroxy-6-methyl-, (3-beta,5-beta,6-alpha)-

Registry Numbers

CAS Registry Number

  • 56931-93-2

System Generated Number

  • 0056931932

Structure Descriptors

InChI

1S/C26H38O5/c1-15-11-22-20(24(3)8-5-18(13-21(15)24)31-16(2)27)6-9-25(4)19(7-10-26(22,25)29)17-12-23(28)30-14-17/h12,15,18-22,29H,5-11,13-14H2,1-4H3/t15-,18-,19+,20-,21-,22+,24+,25+,26?/m0/s1

InChIKey

PJPFWSFGUWXFDK-QTDRMFERSA-N

Smiles

C[C@H]1C[C@@H]2[C@H](CC[C@]3(C2(CC[C@@H]3C4=CC(=O)OC4)O)C)[C@@]5([C@H]1C[C@H](CC5)OC(=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1973ug/kg (1.973mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 1258, 1975.