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Substance Name: 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-
RN: 6980-14-9
InChIKey: HWGUYGUHKLZAGR-JVXUQKQUSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C23-H30-O6

Molecular Weight

  • 402.484
 
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Names and Synonyms

Synonyms

  • 16-Dehydrostrophanthidin
  • BRN 1301208

Systematic Names

  • 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-
  • Carda-16,20(22)-dienolide, 3,5,14-trihydroxy-19-oxo-, (3-beta,5-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 6980-14-9

System Generated Number

  • 0006980149

Structure Descriptors

InChI

1S/C23H30O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h5,10,13,15,17-18,25,27-28H,2-4,6-9,11-12H2,1H3/t15-,17?,18?,20+,21-,22-,23-/m0/s1

InChIKey

HWGUYGUHKLZAGR-JVXUQKQUSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 2067ug/kg (2.067mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.