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Substance Name: Lanatoside B
RN: 17575-21-2
UNII: 3822U6I4Z0
InChIKey: XVAPNQFQPDAROQ-CAPSWCROSA-N

Molecular Formula

  • C49-H76-O20

Molecular Weight

  • 985.119
 
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Names and Synonyms

Name of Substance

  • Lanatoside B

Synonyms

  • 3-((O-beta-D-Glucopyranosyl-(1-4)-O-3-O-acetyl-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-dihydroxycard-20(22)-enolide (3beta,5beta,16beta)-
  • 5-18-04-00388 (Beilstein Handbook Reference)
  • BRN 0078394
  • Digilanid B
  • Digilanide B
  • EINECS 241-545-6
  • Lanatosid B
  • Lanatosid B [German]
  • Lanatoside B
  • NSC 7535
  • UNII-3822U6I4Z0

Systematic Names

  • Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-4)-O-3-O-acetyl-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-dihydroxy-, (3beta,5beta,16beta)- (9CI)
  • Lanatoside B

Registry Numbers

CAS Registry Number

  • 17575-21-2

FDA UNII

  • 3822U6I4Z0

System Generated Number

  • 0017575212

Structure Descriptors

InChI

1S/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,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

XVAPNQFQPDAROQ-CAPSWCROSA-N

Smiles

O1[C@@H](O[C@H]2[C@H](C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4[C@@H](O)C[C@H](O[C@@H]5C[C@H]6CC[C@H]7[C@@]8([C@@]([C@@H](C9=CC(=O)OC9)[C@H](C8)O)(CC[C@H]7[C@@]6(CC5)C)C)O)O[C@@H]4C)O[C@@H]3C)O[C@@H]2C)OC(=O)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 388ug/kg (0.388mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 31, Pg. 236, 1942.
guinea pig LDLo intravenous 3695ug/kg (3.695mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 252, Pg. 314, 1966.
rat LDLo intravenous 12mg/kg (12mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 177, Pg. 60, 1934.