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Substance Name: Card-20(22)-enolide, 3-((2,6-dideoxy-3,4-O-((1-(p-methylphenyl)ethylidene)bis(oxy))-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3-beta,5-beta)-
RN: 35811-10-0
InChIKey: DKYPYYYHMCCNOL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H52-O9

Molecular Weight

  • 652.82
 
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Names and Synonyms

Synonyms

  • 4'-Methylacetophenonehelveticosol
  • 4-Methylacetophenonhelveticosol
  • 4-Methylacetophenonhelveticosol [German]

Systematic Name

  • Card-20(22)-enolide, 3-((2,6-dideoxy-3,4-O-((1-(p-methylphenyl)ethylidene)bis(oxy))-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3-beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 35811-10-0

System Generated Number

  • 0035811100

Structure Descriptors

InChI

1S/C38H52O9/c1-22-5-7-25(8-6-22)35(4)46-30-18-32(44-23(2)33(30)47-35)45-26-9-14-36(21-39)28-10-13-34(3)27(24-17-31(40)43-20-24)12-16-38(34,42)29(28)11-15-37(36,41)19-26/h5-8,17,23,26-30,32-33,39,41-42H,9-16,18-21H2,1-4H3

InChIKey

DKYPYYYHMCCNOL-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)[C@@]1(O[C@@H]2[C@@H](O[C@@H](C[C@@H]2O1)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)O)O)C1=CC(OC1)=O)C)CO)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 873ug/kg (0.873mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1854, 1972.