| SpectraBase Spectrum ID |
LrmLkJ35nLm |
| Name |
Plakinic Acid C Methyl Ester |
| Alternate Name(s) |
Methyl {(3R,5R)-3,5-dimethyl-5-[(7E,11E)-2-methyl-12-phenyl-7,11-dodecadienyl]-1,2-dioxolan-3-yl}acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O4 |
| InChI |
InChI=1S/C27H40O4/c1-23(20-26(2)22-27(3,31-30-26)21-25(28)29-4)16-12-9-7-5-6-8-10-13-17-24-18-14-11-15-19-24/h5-6,11,13-15,17-19,23H,7-10,12,16,20-22H2,1-4H3/b6-5+,17-13+/t23?,26-,27+/m1/s1 |
| InChIKey |
WRRKXRPXPWHLPK-HQETVNOUSA-N |
| Molecular Weight |
428.613 g/mol |
| SMILES |
[C@@]1(OO[C@@](C1)(CC(CCCC\C=C\CC\C=C\c1ccccc1)C)C)(CC(=O)OC)C |
| SPLASH |
splash10-014i-1900000000-f27e8355ff2076b424d7 |
| Source of Spectrum |
J-56-6724-3 |
| Wiley ID |
1380837 |
