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Substance Name: Purpurea glycoside B
RN: 19855-39-1
InChIKey: XBTFSPYPZZJUIG-LAFKWZLNSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C47-H74-O19

Molecular Weight

  • 943.083
 
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Names and Synonyms

Results Name

  • Purpurea glycoside B

Synonyms

  • 5-18-04-00388 (Beilstein Handbook Reference)
  • BRN 0078185
  • Deacetyllanatoside B
  • Desacetyl-lanatosid B
  • Desacetyl-lanatosid B [German]
  • Desacetyllanatoside B
  • EINECS 243-373-7
  • Glucogitoxin
  • Purpurea B
  • Purpurea glycoside B
  • Purpureaglykosid B
  • Purpureaglykosid B [German]

Systematic Names

  • 5-beta-Card-20(22)-enolide, 3-beta-((O-beta-glucopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14,16-beta-dihydroxy-
  • Deacetyllanatoside B
  • Lanatoside B, deacetyl- (8CI)

Registry Numbers

CAS Registry Number

  • 19855-39-1

System Generated Number

  • 0019855391

Structure Descriptors

InChI

1S/C47H74O19/c1-20-38(52)28(49)14-34(59-20)66-43-22(3)61-35(16-31(43)63-36-15-30(39(53)21(2)60-36)64-44-42(56)41(55)40(54)32(18-48)65-44)62-25-8-10-45(4)24(13-25)6-7-27-26(45)9-11-46(5)37(23-12-33(51)58-19-23)29(50)17-47(27,46)57/h12,20-22,24-32,34-44,48-50,52-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26+,27-,28+,29+,30+,31+,32-,34-,35-,36-,37+,38-,39-,40-,41+,42-,43-,44-,45+,46-,47?/m1/s1

InChIKey

XBTFSPYPZZJUIG-LAFKWZLNSA-N

Smiles

C1[C@@H](C[C@H]2CC[C@H]3[C@@]4(C[C@@H]([C@@H](C=5COC(=O)C5)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O)O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)[C@H](O)[C@H](O2)C)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](O2)C)[C@H](O1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 370ug/kg (0.37mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 193, 1963.
frog LD50 oral 8600ug/kg (8.6mg/kg)   Japanese Journal of Pharmacology. Vol. 9, Pg. 91, 1960.
frog LD50 subcutaneous 940ug/kg (0.94mg/kg)   Japanese Journal of Pharmacology. Vol. 9, Pg. 91, 1960.