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Substance Name: Thevebioside
RN: 33279-55-9
InChIKey: RHERCAMWDSQFOH-QBAHGVQYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C36-H56-O13

Molecular Weight

  • 696.825
 
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Names and Synonyms

Results Name

  • Thevebioside

Synonyms

  • BRN 1278824
  • Thevebiosid
  • Thevebiosid [German]
  • Thevebioside

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-2-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-

Registry Numbers

CAS Registry Number

  • 33279-55-9

System Generated Number

  • 0033279559

Structure Descriptors

InChI

1S/C36H56O13/c1-17-26(38)28(40)31(32(42)47-17)46-16-24-27(39)30(44-4)29(41)33(49-24)48-20-7-10-34(2)19(14-20)5-6-23-22(34)8-11-35(3)21(9-12-36(23,35)43)18-13-25(37)45-15-18/h13,17,19-24,26-33,38-43H,5-12,14-16H2,1-4H3/t17?,19-,20+,21-,22?,23?,24?,26-,27-,28?,29?,30?,31?,32-,33+,34+,35-,36+/m1/s1

InChIKey

RHERCAMWDSQFOH-QBAHGVQYSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@@H](C[C@@H](O[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)OC)CO[C@@H]5[C@H]([C@@H]([C@@H](C)O[C@H]5O)O)O)CC4)CC3)C)CC[C@@]2([C@H](C=2COC(C2)=O)C1)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 1mg/kg (1mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 194, 1963.