Isopimpinellin 异茴芹内酯
CAS 482-27-9 MFCD00017407
化学结构图
SMILES: COc1c2ccoc2c(OC)c2oc(=O)ccc12
化学属性
| Mol. Formula | C13 H10 O5 |
|---|---|
| Mol. Weight | 246.22 |
| Density | 1.352 |
| Melting Point | 147-148 |
别名和识别编码
| Chemical Name | Isopimpinellin |
|---|---|
| CAS Number | 482-27-9 |
| 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 Number | MFCD00017407 |
| Chemical Name Translation | 异茴芹内酯 |
| Reaxys-RN | 262337 |
| PubChem Substance ID | 68079 |
| InChI | InChI=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 ID | LN01047665 |
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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
- 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；
- 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
GHS Symbol
其他信息
- MOL 文件:482-27-9.mol
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