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Substance Name: Dihydroouabain
RN: 1183-35-3
InChIKey: ZTFGOPUOTATSAL-CRKFRBKKSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C29-H46-O12

Molecular Weight

  • 586.67
 
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Names and Synonyms

Name of Substance

  • Dihydroouabain

Synonyms

  • 4-18-00-03552 (Beilstein Handbook Reference)
  • BRN 0071786
  • Dihydro-g-strophathin
  • Dihydroouabin
  • EINECS 214-663-0

Systematic Names

  • (20xi)-3beta-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-1beta,5beta,11alpha,14,19-pentahydroxycardanolide
  • 5-beta-20-xi-Cardanolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1-beta,5,11-alpha,14,19-pentahydroxy-
  • Ouabain, dihydro- (7CI)

Registry Numbers

CAS Registry Number

  • 1183-35-3

System Generated Number

  • 0001183353

Structure Descriptors

InChI

1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3/t13?,14?,15-,16?,17?,18?,19+,21?,22-,23?,24?,25+,26+,27-,28+,29-/m0/s1

InChIKey

ZTFGOPUOTATSAL-CRKFRBKKSA-N

Smiles

C([C@@]12[C@@H]3[C@@H]([C@@]4([C@]([C@@H]([C@@H]5COC(C5)=O)CC4)(C)C[C@@H]3O)O)CC[C@@]1(C[C@@H](O[C@@H]1[C@@H]([C@@H]([C@@H](O)[C@@H](O1)C)O)O)C[C@H]2O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 370mg/kg (370mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 190, 1963.