1,4-Naphthoquinone, 5,8-dihydroxy-2,7-dimethoxy-

CAS 2808-46-0 MFCD01712151

化学结构图

2808-46-0
SMILES: COC1=CC(=O)c2c(O)cc(OC)c(O)c2C1=O

化学属性

Mol. FormulaC12H10O6
Mol. Weight250.22

别名和识别编码

Chemical Name1,4-Naphthoquinone, 5,8-dihydroxy-2,7-dimethoxy-
Synonym 5,8-Dihydroxy-2,7-dimethoxy-1,4-naphthoquinone Spinochrome M
Wiswesser Line NotationL66 BV EVJ CO1 GQ IO1 JQ
Beilstein Registry Number1981899
CAS Number2808-46-0
InChIKeyOKTQTRCTZAALBF-UHFFFAOYSA-N
PubChem Substance ID17757
InChIInChI=1S/C12H10O6/c1-17-7-3-5(13)9-6(14)4-8(18-2)12(16)10(9)11(7)15/h3-4,13,15H,1-2H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; ketone; alcohol; ether; 1fragment

相关文献及参考

  • Short: III/35C3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 3: Natural Compounds Author: Gupta, R.R.; Dobhal, M.P. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C3 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41058-9 ISBN: 978-3-540-41058-4 Internet Resource: DOI:10.1007/b76569 RefComment: VIII, 322 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), and carbon-13 (subvol. D) 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

RTECSQL7975000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 3,214,1980

系列性分类

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