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Substance Name: Hellebrigenin-D-glucose
RN: 72947-90-1
InChIKey: AXUYMUBJXHVZEL-DBOUUHTQSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C30-H42-O11

Molecular Weight

  • 578.6508
 
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Names and Synonyms

Results Name

  • Hellebrigenin-D-glucose

Synonyms

  • 3-beta-((D-Glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-5-beta-bufa-20,22-dienolide
  • 4-18-00-03182 (Beilstein Handbook Reference)
  • BRN 0073262
  • Hellebrigenin glucoside
  • Hellebrigenin-D-glucose

Systematic Name

  • 5-beta-Bufa-20,22-dienolide, 3-beta-((D-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-

Registry Numbers

CAS Registry Number

  • 72947-90-1

Other Registry Numbers

  • 100991-82-0
  • 101053-42-3

System Generated Number

  • 0072947901

Structure Descriptors

InChI

1S/C30H42O11/c1-27-8-5-19-20(30(27,38)11-7-18(27)16-2-3-22(33)39-14-16)6-10-29(37)12-17(4-9-28(19,29)15-32)40-26-25(36)24(35)23(34)21(13-31)41-26/h2-3,14-15,17-21,23-26,31,34-38H,4-13H2,1H3/t17-,18+,19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30-/m0/s1

InChIKey

AXUYMUBJXHVZEL-DBOUUHTQSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2c4ccc(=O)oc4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 100ug/kg (0.1mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 395, 1950.