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Substance Name: Cerberoside
RN: 11005-70-2
InChIKey: QWNHCYWCKDKDMK-WKTATXSHSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C42-H66-O18

Molecular Weight

  • 858.965
 
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Names and Synonyms

Results Name

  • Cerberoside

Synonyms

  • BRN 1279318
  • Cerberosid
  • Cerberosid [German]
  • Cerberoside
  • Cerbroside
  • Thevetin B

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-((O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-2)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-

Registry Numbers

CAS Registry Number

  • 11005-70-2

Other Registry Numbers

  • 33279-56-0
  • 56235-01-9

System Generated Number

  • 0011005702

Structure Descriptors

InChI

1S/C42H66O18/c1-18-28(45)35(53-4)36(60-38-34(51)32(49)30(47)26(59-38)17-55-37-33(50)31(48)29(46)25(15-43)58-37)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23?,24?,25+,26+,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38-,39+,40-,41+,42-/m0/s1

InChIKey

QWNHCYWCKDKDMK-WKTATXSHSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@@H](C[C@@H](O[C@@H]5[C@@H]([C@H]([C@H](O)[C@@H](O5)C)OC)O[C@@H]5O[C@H](CO[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)[C@@H](O)[C@@H]([C@H]5O)O)CC4)CC3)C)CC[C@@]2([C@H](C=2COC(C2)=O)C1)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 810ug/kg (0.81mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 189, 1963.
cat LDLo unreported 636ug/kg (0.636mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 134, 1963.
guinea pig LDLo intravenous 3539ug/kg (3.539mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 252, Pg. 314, 1966.