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Substance Name: Lanatoside D
RN: 11030-31-2
UNII: JB87J72236
InChIKey: CMJNCFRBMBTRSY-WRBNHJDJSA-N

Molecular Formula

  • C49-H76-O21

Molecular Weight

  • 1001.1184
 
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Names and Synonyms

Name of Substance

  • Lanatoside D

Synonyms

  • 4-18-00-03090 (Beilstein Handbook Reference)
  • BRN 0078435
  • Diginatigenin + zuckerkette wie bei lanatosid A
  • Diginatigenin + zuckerkette wie bei lanatosid A [German]
  • EINECS 234-261-9
  • Lanatosid D
  • Lanatosid D [German]
  • UNII-JB87J72236

Systematic Name

  • Lanatoside D

Registry Numbers

CAS Registry Number

  • 11030-31-2

FDA UNII

  • JB87J72236

System Generated Number

  • 0011030312

Structure Descriptors

InChI

1S/C49H76O21/c1-20-43(68-37-15-30(53)44(21(2)63-37)69-38-16-32(65-23(4)51)45(22(3)64-38)70-46-42(59)41(58)40(57)33(18-50)67-46)29(52)14-36(62-20)66-26-9-10-47(5)25(12-26)7-8-27-28(47)13-34(55)48(6)39(24-11-35(56)61-19-24)31(54)17-49(27,48)60/h11,20-22,25-34,36-46,50,52-55,57-60H,7-10,12-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1

InChIKey

CMJNCFRBMBTRSY-WRBNHJDJSA-N

Smiles

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6C[C@@H](O)[C@]8(C)[C@H]([C@@H](O)C[C@]78O)C9=CC(=O)OC9)C5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 514ug/kg (0.514mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 988, 1962.
cat LDLo unreported 410ug/kg (0.41mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 55, 1963.