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Substance Name: 14-Acetoxybupleurotoxin
RN: 111128-30-4
InChIKey: SFZVRHWQKJMBGD-XHWFXLNJSA-N

Note

  • Isolated from Bupleurum longiradiatum Turez. (Umbellifarae).

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C19-H24-O3

Molecular Weight

  • 300.396
 
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Names and Synonyms

Name of Substance

  • 14-Acetoxybupleurotoxin

Synonyms

  • 14-Acetoxy-bupleurynol
  • 14-Carbonyl-bupleurynol
  • Acetylbupleurotoxin

Systematic Name

  • 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, 14-acetate, (Z,E,E)-

Registry Numbers

CAS Registry Number

  • 111128-30-4

System Generated Number

  • 0111128304

Structure Descriptors

InChI

1S/C19H24O3/c1-3-15-19(22-18(2)21)16-13-11-9-7-5-4-6-8-10-12-14-17-20/h5,7,9,11-12,14,19-20H,3,13,15-17H2,1-2H3/b7-5+,11-9+,14-12-

InChIKey

SFZVRHWQKJMBGD-XHWFXLNJSA-N

Smiles

C([C@@H](OC(C)=O)CCC)C\C=C\C=C\C#CC#C\C=C/CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3130ug/kg (3.13mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 22, Pg. 507, 1987.