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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-methyl-4-hexenylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
RN: 40279-51-4
InChIKey: SVERRFDYBOELPT-YOGFUXKOSA-N

Molecular Formula

  • C36-H52-O9

Molecular Weight

  • 628.798
 
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Names and Synonyms

Synonyms

  • 6-Methylhepten-5-on-2-helveticosid
  • 6-Methylhepten-5-on-2-helveticosid [German]
  • FG 798

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40279-51-4

System Generated Number

  • 0040279514

Structure Descriptors

InChI

1S/C36H52O9/c1-5-6-7-12-33(4)44-28-18-30(42-22(2)31(28)45-33)43-24-8-14-34(21-37)26-9-13-32(3)25(23-17-29(38)41-20-23)11-16-36(32,40)27(26)10-15-35(34,39)19-24/h5-6,17,21-22,24-28,30-31,39-40H,7-16,18-20H2,1-4H3/b6-5+/t22?,24-,25+,26?,27?,28?,30-,31+,32+,33?,34-,35-,36-/m0/s1

InChIKey

SVERRFDYBOELPT-YOGFUXKOSA-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)(CC\C=C\C)C)[C@@H](O2)C)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 587ug/kg (0.587mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1854, 1972.