Vallaroside, mono-O-acetyl-

CAS 4356-53-0 MFCD N/A

化学结构图

4356-53-0
SMILES: COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1OC(C)=O

化学属性

Mol. Weight576.80
Mol. FormulaC32H48O9

别名和识别编码

Chemical NameVallaroside, mono-O-acetyl-
Chemicalbook IDCB42419378
Synonym Mono-O-acetylvallaroside
CAS Number4356-53-0
InChIKeyUYQMTWMXBKEHJQ-CNJUQUCXSA-N
PubChem Substance ID199529
InChIInChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27-,28+,29-,30-,31+,32-/m0/s1
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安全信息

RTECSYV9560000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 314 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 13,1029,1970

系列性分类

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