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Substance Name: Afroside B
RN: 11002-82-7
InChIKey: HNOFNBVWCFKUEQ-AUDPLJMXSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C29-H42-O9

Molecular Weight

  • 534.6418
 
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Names and Synonyms

  • Afroside B

Registry Numbers

CAS Registry Number

  • 11002-82-7

System Generated Number

  • 0011002827

Structure Descriptors

InChI

1S/C29H42O9/c1-14-8-23(31)29(34)25(36-14)37-20-10-16-4-5-18-17(26(16,2)12-21(20)38-29)6-7-27(3)19(11-22(30)28(18,27)33)15-9-24(32)35-13-15/h9,14,16-23,25,30-31,33-34H,4-8,10-13H2,1-3H3/t14-,16+,17?,18-,19-,20-,21-,22-,23-,25+,26+,27-,28-,29+/m1/s1

InChIKey

HNOFNBVWCFKUEQ-AUDPLJMXSA-N

Smiles

C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5C([C@]4(C[C@H]3O2)C)CC[C@]6([C@@]5([C@@H](C[C@@H]6C7=CC(=O)OC7)O)O)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 440ug/kg (0.44mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 188, 1963.