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Substance Name: psi-Bufarenogin
RN: 17008-69-4
InChIKey: SOGONHOGEFLVPE-BHZHDSHXSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C24-H32-O6

Molecular Weight

  • 416.511
 
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Names and Synonyms

Results Name

  • psi-Bufarenogin

Synonyms

  • (3-beta,5-beta,12-alpha)-11-Oxo-3,12,14-trihydroxybufa-20,22-dienolide
  • Pseudobufarenogin
  • psi-Bufarenogin

Systematic Names

  • 5-beta-Bufa-20,22-dienolide, 3-beta,12-alpha,14-trihydroxy-11-oxo- (8CI)
  • Bufa-20,22-dienolide, 11-oxo-3,12,14-trihydroxy-, (3-beta,5-beta,12-alpha)-

Registry Numbers

CAS Registry Number

  • 17008-69-4

System Generated Number

  • 0017008694

Structure Descriptors

InChI

1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19,21,25,28-29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,21+,22+,23+,24+/m1/s1

InChIKey

SOGONHOGEFLVPE-BHZHDSHXSA-N

Smiles

c1(ccc(co1)[C@H]1CC[C@@]2([C@H]3[C@H](C([C@@H]([C@@]12C)O)=O)[C@@]1([C@H](CC3)C[C@H](CC1)O)C)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD intravenous > 4920ug/kg (4.92mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.