Isopimpinellin 异茴芹内酯

CAS 482-27-9 MFCD00017407

化学结构图

482-27-9
SMILES: COc1c2ccoc2c(OC)c2oc(=O)ccc12

化学属性

Mol. FormulaC13 H10 O5
Mol. Weight246.22
Density1.352
Melting Point147-148

别名和识别编码

Chemical NameIsopimpinellin
CAS Number482-27-9
Synonym 4,9-DIMETHOXYPSORALEN 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one 4,9-Dimethoxy-7H-furo[3,2-γ],[1]benzopyran-7-one 4,9-Dimethoxy-furo[3,2-g]chromen-7-one 4,9-Dimethoxy-furo[3,2-g]chromen-7-one 4,9-Dimethoxy-furo[3,2-γ],chromen-7-one 4,9-Dimethoxypsoralen 4,9-dimethoxy-furo(3,2-g)chromen-7-one 5,8-Dimethoxy-6,7-furanocoumarin 5,8-Dimethoxypsoralen 5,8-Dimethoxypsoralene 7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy- 7H-Furo[3,2-g][1]benzopyran-7-one,4,9-dimethoxy- DIMETHYLPSORALEN DIMETHYLPSORALEN hplc Dimethylpsoralen ISOPIMPINELLIN WITH HPLC Isopimpinellin {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {}
MDL NumberMFCD00017407
Chemical Name Translation异茴芹内酯
Reaxys-RN262337
PubChem Substance ID68079
InChIInChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
LabNetwork Molecule IDLN01047665
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分类

  • Heterocycles,
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; ester; lactone; ether; 1fragment

产品应用

  • 用作中药对照品

相关文献及参考

  • Cheng, M.-J., et al.: Bioorg. Med. Chem., 13, 5915 (2005),
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

Storage condition -20°C -20℃ 储存温度2-8°C
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
RTECSLV1049200
GHS Symbol
UN Number
Hazard Codes
Signal word
WGK Germany3
Precautionary statements
Packing GroupII

其他信息

  • MOL 文件:482-27-9.mol

系列性分类


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