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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-methyl-3-phenylpropylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
RN: 35811-07-5
InChIKey: BQDMWMVXZLOEKH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H52-O9

Molecular Weight

  • 664.831
 
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Names and Synonyms

Synonyms

  • Benzylacetonhelveticosid
  • Benzylacetonhelveticosid [German]

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-methyl-3-phenylpropylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-

Registry Numbers

CAS Registry Number

  • 35811-07-5

System Generated Number

  • 0035811075

Structure Descriptors

InChI

1S/C39H52O9/c1-24-34-31(47-36(3,48-34)15-9-25-7-5-4-6-8-25)20-33(45-24)46-27-10-16-37(23-40)29-11-14-35(2)28(26-19-32(41)44-22-26)13-18-39(35,43)30(29)12-17-38(37,42)21-27/h4-8,19,23-24,27-31,33-34,42-43H,9-18,20-22H2,1-3H3

InChIKey

BQDMWMVXZLOEKH-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2CC[C@@]3([C@@](C2)(O)CC[C@@H]2[C@@]4(O)[C@@](C)(CC[C@@H]32)[C@@H](C2=CC(=O)OC2)CC4)C=O)C[C@@H]2[C@@H]([C@@H]1C)O[C@@](O2)(C)CCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 465ug/kg (0.465mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1854, 1972.