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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-ethylnonylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
RN: 40279-49-0
InChIKey: ITLPNNVWSWFOJO-PXMDNIFDSA-N

Molecular Formula

  • C40-H62-O9

Molecular Weight

  • 686.921
 
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Names and Synonyms

Synonyms

  • Aethyloctylketonhelveticosid
  • Aethyloctylketonhelveticosid [German]
  • FG 209

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40279-49-0

System Generated Number

  • 0040279490

Structure Descriptors

InChI

1S/C40H62O9/c1-5-7-8-9-10-11-16-39(6-2)48-32-22-34(46-26(3)35(32)49-39)47-28-12-18-37(25-41)30-13-17-36(4)29(27-21-33(42)45-24-27)15-20-40(36,44)31(30)14-19-38(37,43)23-28/h21,25-26,28-32,34-35,43-44H,5-20,22-24H2,1-4H3/t26?,28-,29+,30?,31?,32?,34-,35+,36+,37-,38-,39?,40-/m0/s1

InChIKey

ITLPNNVWSWFOJO-PXMDNIFDSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC[C@@]2(C[C@H](O[C@H]2C[C@H]3[C@H](O[C@@](O3)(CCCCCCCC)CC)[C@@H](O2)C)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1214ug/kg (1.214mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1854, 1972.