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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(3-methylcyclohexylidene)-beta-D-ribo-hexapyranosyl)oxy)-5,14-dihydroxy-19-oxo-
RN: 40279-45-6
InChIKey: ZJYGZEAYKCYGPP-KXEPKUHUSA-N

Molecular Formula

  • C36-H52-O9

Molecular Weight

  • 628.798
 
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Names and Synonyms

Synonyms

  • 3-Methylcyclohexanonhelveticosid
  • 3-Methylcyclohexanonhelveticosid [German]
  • FG 413

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40279-45-6

System Generated Number

  • 0040279456

Structure Descriptors

InChI

1S/C36H52O9/c1-21-5-4-10-35(17-21)44-28-16-30(42-22(2)31(28)45-35)43-24-6-12-33(20-37)26-7-11-32(3)25(23-15-29(38)41-19-23)9-14-36(32,40)27(26)8-13-34(33,39)18-24/h15,20-22,24-28,30-31,39-40H,4-14,16-19H2,1-3H3/t21?,22?,24-,25+,26?,27?,28?,30-,31+,32+,33-,34-,35?,36-/m0/s1

InChIKey

ZJYGZEAYKCYGPP-KXEPKUHUSA-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@@]4(O3)C[C@@H](CCC4)C)[C@@H](O2)C)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1047ug/kg (1.047mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1854, 1972.