Delphinidin 3-glucoside chloride 飞燕草素葡萄糖苷

CAS 6906-38-3 MFCD01762899

化学结构图

6906-38-3
SMILES: OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O.[Cl-]

化学属性

Mol. FormulaC21 H21 O12 . Cl
Mol. Weight500.84
Density
Boiling Point
Melting PointNo Data Available
Flash Point-

别名和识别编码

Chemical NameDelphinidin 3-glucoside chloride
CAS Number6906-38-3
Synonym 3,3',4',5,5',7'-Hexahydroxyflavylium chloride 3-glucoside; Myrtillin chloride 3-(?-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium Chloride Delphinidin 3-?-D-Glucoside Delphinidin 3-β-D-Glucoside {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number-
Chemical Name Translation飞燕草素葡萄糖苷
LabNetwork Molecule IDLN01317593
PubChem Substance ID165558
InChIInChI=1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17-,18+,19-,21-;/m1./s1
Canonical SMILES[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c4cc(O)c(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O
EC Number
Beilstein Registry Number
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分类

  • Aromatics
  • Carbohydrates & Derivatives
  • Heterocycles
  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals

产品应用

  • A metabolite of Delphinidin. A constituent of blue honeysuckle

相关文献及参考

  • Christensen, G., et al.: J. Clin. Microbiol., 22, 996 (1985),

安全信息

Storage condition N/A N/A℃ No Data Available 储存温度-20°C
RTECSDK1275000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1850 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   USXXAM United States Patent Document.  (U.S. Patent Office, Box 9,
   Washington, DC 20231)  Volume(issue)/page/year: #4229439

GHS Symbol
UN Number
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WGK Germany
Safety Statements
Risk Statements
Precautionary statements
Packing Group
Hazard statements

系列性分类

  1. Functional Group 官能团索引
  2. 1,2-diphenol

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