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Substance Name: 5-beta-Card-20(22)-enolide, 5,14-dihydroxy-3-beta-(2-(3-methyl-1-oxobutoxy)-1-oxopropoxy)-19-oxo-
RN: 63979-74-8
InChIKey: APRJUYNZWKJHCB-AFBWHMRBSA-N

Molecular Formula

  • C31-H44-O9

Molecular Weight

  • 560.68
 
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Names and Synonyms

Synonyms

  • 4-18-00-03134 (Beilstein Handbook Reference)
  • alpha-i-Valeryloxypropionyl-k-strophanthidin
  • BRN 0072018
  • k-Strophanthidin, alpha-isovaleryloxypropionyl-

Systematic Name

  • 5-beta-Card-20(22)-enolide, 5,14-dihydroxy-3-beta-(2-(3-methyl-1-oxobutoxy)-1-oxopropoxy)-19-oxo-

Registry Numbers

CAS Registry Number

  • 63979-74-8

System Generated Number

  • 0063979748

Structure Descriptors

InChI

1S/C31H44O9/c1-18(2)13-26(34)39-19(3)27(35)40-21-5-10-29(17-32)23-6-9-28(4)22(20-14-25(33)38-16-20)8-12-31(28,37)24(23)7-11-30(29,36)15-21/h14,17-19,21-24,36-37H,5-13,15-16H2,1-4H3/t19?,21-,22+,23?,24?,28+,29-,30-,31-/m0/s1

InChIKey

APRJUYNZWKJHCB-AFBWHMRBSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C5=CC(=O)OC5)CC4)(C)CC3)O)CC[C@@]2(C[C@H](OC([C@@H](OC(CC(C)C)=O)C)=O)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 820ug/kg (0.82mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 185, Pg. 329, 1937.