[(3S,5S,8R,9S,10S,13R,14S,17R)-10-Formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate

CAS 4956-18-7 MFCD01740209

化学结构图

4956-18-7
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

化学属性

Mol. FormulaC25H33BrO7
Mol. Weight525.49

别名和识别编码

Chemical NameStrophanthidin 3-bromoacetate
InChIKeyHQEHABLFHCPQHP-IFZLVPIESA-N
Synonym Card-20(22)enolide, 3-((bromoacetyl)oxy)-5,14-dihydroxy-19-oxo-,
CAS Number4956-18-7
Beilstein Registry Number0067333
PubChem Substance ID16402484
InChIInChI=1S/C25H33BrO7/c1-22-6-3-18-19(25(22,31)9-5-17(22)15-10-20(28)32-13-15)4-8-24(30)11-16(33-21(29)12-26)2-7-23(18,24)14-27/h10,14,16-19,30-31H,2-9,11-13H2,1H3/t16-,17+,18-,19+,22+,23-,24-,25-/m0/s1
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安全信息

RTECSFH5430000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 8812 ug/kg
TOXIC EFFECTS :
   Nutritional and Gross Metabolic - changes in phosphorus
REFERENCE :
   BRCAB7 Basic Research in Cardiology.  (Dr. Dietrich Steinkopff Verlag,
   Postfach 111008, D-6100 Darmstadt 11, Fed. Rep. Ger.)  V.68-    1973-
   Volume(issue)/page/year: 76,62,1981

系列性分类

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