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Substance Name: Calotropagenin
RN: 24211-64-1
InChIKey: VRDLGTLMAZPOMK-ULYMASLISA-N

Note

  • From Calotropis procera.

Classification Code

  • Natural Product

Molecular Formula

  • C23-H32-O6

Molecular Weight

  • 404.5
 
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Names and Synonyms

Synonyms

  • 4-18-00-03123 (Beilstein Handbook Reference)
  • BRN 0057795

Systematic Names

  • 5-alpha-Card-20(22)-enolide, 2-alpha,3-beta,14-trihydroxy-19-oxo- (8CI)
  • Calotropagenin
  • Card-20(22)-enolide, 2,3,14-trihydroxy-19-oxo-, (2-alpha,3-beta,5-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 24211-64-1

System Generated Number

  • 0024211641

Structure Descriptors

InChI

1S/C23H32O6/c1-21-6-4-16-17(3-2-14-9-18(25)19(26)10-22(14,16)12-24)23(21,28)7-5-15(21)13-8-20(27)29-11-13/h8,12,14-19,25-26,28H,2-7,9-11H2,1H3/t14-,15+,16-,17+,18+,19+,21+,22+,23?/m0/s1

InChIKey

VRDLGTLMAZPOMK-ULYMASLISA-N

Smiles

C1[C@H]([C@@H](C[C@@H]2CC[C@H]3[C@@]4(CC[C@@H](C=5COC(=O)C5)[C@@]4(C)CC[C@H]3[C@@]12C=O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1572ug/kg (1.572mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.