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Substance Name: Erysimosole
RN: 11006-14-7
InChIKey: FWXUQGTVECLNCB-OKDYQEHCSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C35-H54-O14

Molecular Weight

  • 698.798
 
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Names and Synonyms

Results Name

  • Erysimosole

Synonyms

  • EINECS 234-240-4
  • Erysimosol
  • Erysimosole

Systematic Names

  • (3beta,5beta)-3-((2,6-Dideoxy-4-O-beta-D -glucopyranosyl-beta-D -ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide
  • Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-glucopyranosyl-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3-beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 11006-14-7

System Generated Number

  • 0011006147

Structure Descriptors

InChI

1S/C35H54O14/c1-17-30(23(37)12-26(39)47-17)46-15-24-27(40)28(41)29(42)31(49-24)48-19-3-8-33(16-36)21-4-7-32(2)20(18-11-25(38)45-14-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,17,19-24,26-31,36-37,39-44H,3-10,12-16H2,1-2H3/t17?,19-,20+,21?,22?,23?,24?,26-,27+,28?,29?,30-,31+,32+,33-,34-,35-/m0/s1

InChIKey

FWXUQGTVECLNCB-OKDYQEHCSA-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]2O[C@@H](CO[C@@H]3[C@H](C[C@@H](O)O[C@@H]3C)O)[C@@H](O)[C@H]([C@H]2O)O)C1)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 149ug/kg (0.149mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.