7,9a-Methano-9aH-cyclopenta(b)heptalene-4,8,10,11,11a(1H)-pentol, 2,3-epoxydodecahydro-1,1,4,8-tetramethyl-, 11-acetate,(2R,3S,3as,4R,4ar,7R,8R,9ar,10S,11R,11aR)-

CAS 31136-61-5 MFCD01714944

化学结构图

31136-61-5
SMILES: CC1(C)[C@H]2O[C@H]2[C@@H]2[C@]1(O)[C@H](OC(C)=O)[C@@H](O)[C@@]13C[C@@H](CC[C@H]1[C@@]2(C)O)[C@](C)(O)C3

化学属性

Mol. FormulaC22H34O7
Mol. Weight410.56

别名和识别编码

Chemical Name7,9a-Methano-9aH-cyclopenta(b)heptalene-4,8,10,11,11a(1H)-pentol, 2,3-epoxydodecahydro-1,1,4,8-tetramethyl-, 11-acetate,(2R,3S,3as,4R,4ar,7R,8R,9ar,10S,11R,11aR)-
Synonym Grayanotoxane-5,6,7,10,16-pentol, 2,3-epoxy-, 6-acetate,
Wiswesser Line NotationT G3 E5 B765 A 1B Q BX HOTJ CQ DQ EOV1 F1 F1 KQ K1 PQP1
Beilstein Registry Number5637282
CAS Number31136-61-5
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安全信息

RTECSPB9230000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3010 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   35,303,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4900 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 9,171,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 400 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   44,259,1980

系列性分类

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