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Substance Name: 12beta-Hydroxyresibufogenin
RN: 2042-58-2
InChIKey: DUDKFSOZKFNNCE-FEHGIAQLSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C24-H32-O5

Molecular Weight

  • 400.5118
 
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Names and Synonyms

Results Name

  • 12beta-Hydroxyresibufogenin

Synonyms

  • (3-beta,5-beta,12-beta,15-beta)-3,12-Dihydroxy-14,15-epoxybufa-20,22-dienolide
  • 12-beta-Hydroxyresibufogenin

Systematic Name

  • Bufa-20,22-dienolide, 3,12-dihydroxy-14,15-epoxy-, (3-beta,5-beta,12-beta,15-beta)-

Registry Numbers

CAS Registry Number

  • 2042-58-2

System Generated Number

  • 0002042582

Structure Descriptors

InChI

1S/C24H32O5/c1-22-8-7-15(25)9-14(22)4-5-16-18(22)10-19(26)23(2)17(11-20-24(16,23)29-20)13-3-6-21(27)28-12-13/h3,6,12,14-20,25-26H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,18+,19-,20-,22+,23+,24-/m1/s1

InChIKey

DUDKFSOZKFNNCE-FEHGIAQLSA-N

Smiles

C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](C[C@H]5O[C@@]345)C6=COC(=O)C=C6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 4160ug/kg (4.16mg/kg)   Journal of Pharmaceutical Sciences. Vol. 56, Pg. 1535, 1967.