Ambrosa-2,11(13)-dien-12-oic acid,6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone

CAS 6754-13-8 MFCD01674580

化学结构图

6754-13-8
SMILES: C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(O)C12

化学属性

Mol. FormulaC15H18O4
Mol. Weight262.33

别名和识别编码

Chemical NameAmbrosa-2,11(13)-dien-12-oic acid,6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone
Chemical Name Translation
Wiswesser Line NotationT C575 DYVO MV KUTJ A1 BQ DU1 I1
Synonym (-)-Helenalin Helenalin
CAS Number6754-13-8
Beilstein Registry Number0028081
LabNetwork Molecule IDLN01315457
PubChem Substance ID23205
InChIInChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1
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安全信息

RTECSBD9630000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 90 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHUZBI Pharmazie in Unserer Zeit.  (VCH Pub., Inc., 303 N.W. 12th Ave.,
   Deerfield Beach, FL 33441) V.1-    1972-  Volume(issue)/page/year: 10,1,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - domestic
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHUZBI Pharmazie in Unserer Zeit.  (VCH Pub., Inc., 303 N.W. 12th Ave.,
   Deerfield Beach, FL 33441) V.1-    1972-  Volume(issue)/page/year: 10,1,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 125 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHUZBI Pharmazie in Unserer Zeit.  (VCH Pub., Inc., 303 N.W. 12th Ave.,
   Deerfield Beach, FL 33441) V.1-    1972-  Volume(issue)/page/year: 10,1,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AJVRAH American Journal of Veterinary Research.  (American Veterinary
   Medical Assoc., 930 N. Meacham Rd., Schaumburg, IL 60196)  V.1-    1940-
   Volume(issue)/page/year: 37,859,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - mouse Ascites tumor
DOSE/DURATION           : 2143 umol/L
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 67,1235,1978

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 780 ppb
REFERENCE :
   BSECBU Biochemical Systematics and Ecology.  (Pergamon Press Inc., Maxwell
   House, Fairview Park, Elmsford, NY 10523)  V.2-     1974-
   Volume(issue)/page/year: 13,365,1985

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 34,161,1981

TYPE OF TEST            : DNA inhibition
ROUTE OF EXPOSURE       : Unreported
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 15 mg/kg/3D
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 20,333,1977

系列性分类

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