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Substance Name: 5-beta-Card-20(22)-enolide, 5,14-dihydroxy-19-oxo-3-beta-((phenylacetyl)oxy)-, (3beta,5-beta)-
RN: 63979-71-5
InChIKey: BKVJSUAKPCZFQK-IXMWINEVSA-N

Molecular Formula

  • C31-H38-O7

Molecular Weight

  • 522.634
 
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Names and Synonyms

Synonyms

  • 4-18-00-03133 (Beilstein Handbook Reference)
  • BRN 0069600
  • k-Strophanthidin, phenylacetyl-

Systematic Name

  • 5-beta-Card-20(22)-enolide, 5,14-dihydroxy-19-oxo-3-beta-((phenylacetyl)oxy)-, (3beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 63979-71-5

System Generated Number

  • 0063979715

Structure Descriptors

InChI

1S/C31H38O7/c1-28-11-8-24-25(31(28,36)14-10-23(28)21-16-26(33)37-18-21)9-13-30(35)17-22(7-12-29(24,30)19-32)38-27(34)15-20-5-3-2-4-6-20/h2-6,16,19,22-25,35-36H,7-15,17-18H2,1H3/t22-,23+,24?,25?,28+,29-,30-,31-/m0/s1

InChIKey

BKVJSUAKPCZFQK-IXMWINEVSA-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(Cc2ccccc2)=O)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 500ug/kg (0.5mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 185, Pg. 329, 1937.