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Substance Name: 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-
RN: 3810-94-4
InChIKey: SHRGTLYZJIVTMQ-HAXYUZPQSA-N

Molecular Formula

  • C23-H30-O5

Molecular Weight

  • 386.485
 
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Names and Synonyms

Synonyms

  • (5-beta)-14-Hydroxy-3,12-dioxocard-20(22)-enolide
  • 3,12-Digoxigendione
  • Digoxigenone

Systematic Names

  • 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-
  • Card-20(22)-enolide, 14-hydroxy-3,12-dioxo-, (5-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 3810-94-4

System Generated Number

  • 0003810944

Structure Descriptors

InChI

1S/C23H30O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14,16-18,27H,3-8,10-12H2,1-2H3/t14-,16-,17?,18?,21+,22+,23+/m1/s1

InChIKey

SHRGTLYZJIVTMQ-HAXYUZPQSA-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(CCC(C2)=O)C)=O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 9650ug/kg (9.65mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 311, 1962.
guinea pig LDLo intravenous > 14mg/kg (14mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 311, 1962.