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Substance Name: Calotropagenin, anhydro-
RN: 102107-27-7
InChIKey: GZDIWNMFMGOTIH-SXMSJDHHSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C23-H30-O5

Molecular Weight

  • 386.485
 
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Names and Synonyms

Synonym

  • Anhydrocalotropagenin

Systematic Names

  • Calotropagenin, anhydro-
  • Carda-14,20(22)-dienolide, 2,3-dihydroxy-19-oxo-, (2-alpha,3-beta,5-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 102107-27-7

System Generated Number

  • 0102107277

Structure Descriptors

InChI

1S/C23H30O5/c1-22-7-6-18-15(17(22)5-4-16(22)13-8-21(27)28-11-13)3-2-14-9-19(25)20(26)10-23(14,18)12-24/h5,8,12,14-16,18-20,25-26H,2-4,6-7,9-11H2,1H3/t14-,15-,16+,18-,19+,20+,22+,23+/m0/s1

InChIKey

GZDIWNMFMGOTIH-SXMSJDHHSA-N

Smiles

C[C@]12CC[C@H]3[C@H](C1=CC[C@@H]2C4=CC(=O)OC4)CC[C@@H]5[C@@]3(C[C@H]([C@@H](C5)O)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 2570ug/kg (2.57mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 188, 1963.