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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-((3,4-O-cycloheptylidene-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
RN: 40279-47-8
InChIKey: JAVSLHSMOQLXOG-ZVVHZKMISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H52-O9

Molecular Weight

  • 628.7978
 
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Names and Synonyms

Synonyms

  • Cycloheptanonhelveticosid
  • Cycloheptanonhelveticosid [German]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40279-47-8

System Generated Number

  • 0040279478

Structure Descriptors

InChI

1S/C36H52O9/c1-22-31-28(44-35(45-31)11-5-3-4-6-12-35)18-30(42-22)43-24-7-14-33(21-37)26-8-13-32(2)25(23-17-29(38)41-20-23)10-16-36(32,40)27(26)9-15-34(33,39)19-24/h17,21-22,24-28,30-31,39-40H,3-16,18-20H2,1-2H3/t22-,24+,25-,26+,27-,28?,30-,31?,32-,33+,34+,36?/m1/s1

InChIKey

JAVSLHSMOQLXOG-ZVVHZKMISA-N

Smiles

C[C@@H]1C2C(C[C@H](O1)O[C@H]3CC[C@@]4([C@H]5CC[C@@]6([C@H](CCC6([C@@H]5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC8(O2)CCCCCC8

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1148ug/kg (1.148mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1854, 1972.