Cevane-3-beta,4-beta,7-alpha,14,15-alpha,16-beta,20-heptol, 4,9-epoxy-, 7-acetate,15-((+)-2-hydroxy-2-methylbutyrate)3-((-)-2-methylbutyrate)

CAS 560-48-5 MFCD01732131

化学结构图

560-48-5
SMILES: CC[C@H](C)C(=O)O[C@H]1CC[C@@]2(C)[C@H]3C[C@@H](OC(C)=O)[C@H]4[C@@]5(O)[C@@H](C[C@@]42O[C@@]13O)[C@@H]1CN2C[C@@H](C)CC[C@H]2[C@@](C)(O)[C@H]1[C@@H](O)[C@@H]5OC(=O)[C@](C)(O)CC

化学属性

Mol. FormulaC39H61NO12
Mol. Weight736.01

别名和识别编码

Chemical NameCevane-3-beta,4-beta,7-alpha,14,15-alpha,16-beta,20-heptol, 4,9-epoxy-, 7-acetate,15-((+)-2-hydroxy-2-methylbutyrate)3-((-)-2-methylbutyrate)
Synonym Germitrin Germitrine
CAS Number560-48-5
Beilstein Registry Number0076383
PubChem Substance ID90479349
InChIInChI=1S/C39H61NO12/c1-9-20(4)32(43)51-31-29(42)28-22(18-40-17-19(3)11-12-26(40)36(28,8)46)23-16-37-30(38(23,31)47)24(49-21(5)41)15-25-34(37,6)14-13-27(39(25,48)52-37)50-33(44)35(7,45)10-2/h19-20,22-31,42,45-48H,9-18H2,1-8H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+,29+,30+,31-,34-,35-,36+,37+,38-,39+/m0/s1
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安全信息

RTECSFL4800000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - cyanosis
   Gastrointestinal - nausea or vomiting
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 113,89,1955

系列性分类

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