SpectraBase Compound ID | Gz1zFWlLV2F |
---|---|
InChI | InChI=1S/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3/b19-14+/t26-,29?,30+,31-,32+,33+,35+,36-/m1/s1 |
InChIKey | FESYLMLHRKCTFF-MVOURBEPSA-N |
Mol Weight | 516.8 g/mol |
Molecular Formula | C36H52O2 |
Exact Mass | 516.396731 g/mol |
SpectraBase Spectrum ID | CGS1iQij3N7 |
---|---|
Name | trans-Cinnamic acid, cholesteryl ester |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C36H52O2 |
InChI | InChI=1S/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3/b19-14+/t26-,29?,30+,31-,32+,33+,35+,36-/m1/s1 |
InChIKey | FESYLMLHRKCTFF-MVOURBEPSA-N |
Instrument Name | Varian CFT-20 |
Sadtler NMR Number | 26991M |
Solvent | CDCl3 |