Triacetoxyscirpenol

CAS 4297-61-4 MFCD00078759

化学结构图

4297-61-4
SMILES: CC(=O)OCC12CCC(C)=CC1OC1C(OC(C)=O)C(OC(C)=O)C2(C)C12CO2

化学属性

Mol. FormulaC21H28O8
Mol. Weight408.444

别名和识别编码

Chemical NameTriacetoxyscirpenol
Synonym
InChIKeyYWQOKOBRSAAKTG-RJAZSMOASA-N
PubChem Substance ID9909372
InChIInChI=1S/C21H28O8/c1-11-6-7-20(9-25-12(2)22)15(8-11)29-18-16(27-13(3)23)17(28-14(4)24)19(20,5)21(18)10-26-21/h8,15-18H,6-7,9-10H2,1-5H3/t15-,16-,17-,18-,19-,20-,21+/m1/s1
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; alicycle; large ring; fused rings; 3ring; 5ring; 6ring; 7ring; 10ring; 11ring; spiro; ester; ether; chiral; 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.

系列性分类


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