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Substance Name: Degluco-hellebrin
RN: 20300-44-1
InChIKey: HNNFRQFXBWSJBX-MLQJDTNZSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C30-H42-O10

Molecular Weight

  • 562.6518
 
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Names and Synonyms

Results Name

  • Degluco-hellebrin

Synonyms

  • 4-18-00-03181 (Beilstein Handbook Reference)
  • BRN 0072412
  • Degluco-hellebrin
  • Desgluco-hellebrin
  • Desgluco-hellebrin [German]
  • Hellebrigenin-L-rhamnosid
  • Hellebrigenin-L-rhamnosid [German]

Systematic Name

  • 5-beta-Bufa-20,22-dienolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,14-hydroxy-19-oxo-

Registry Numbers

CAS Registry Number

  • 20300-44-1

System Generated Number

  • 0020300441

Structure Descriptors

InChI

1S/C30H42O10/c1-16-23(33)24(34)25(35)26(39-16)40-18-5-10-28(15-31)20-6-9-27(2)19(17-3-4-22(32)38-14-17)8-12-30(27,37)21(20)7-11-29(28,36)13-18/h3-4,14-16,18-21,23-26,33-37H,5-13H2,1-2H3/t16?,18-,19+,20-,21+,23+,24?,25?,26+,27+,28-,29-,30-/m0/s1

InChIKey

HNNFRQFXBWSJBX-MLQJDTNZSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](c5ccc(=O)oc5)CC4)(C)CC3)O)CC[C@@]2(C[C@H](O[C@@H]2[C@H]([C@H]([C@H](O)[C@@H](O2)C)O)O)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 86ug/kg (0.086mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 271, 1947.
mammal (species unspecified) LDLo intravenous 157ug/kg (0.157mg/kg)   Acta Pharmaceutica Jugoslavica. Vol. 24, Pg. 179, 1974.