| SpectraBase Spectrum ID |
FkjIFb03ETq |
| Name |
3,20-13C2-E,E.E-geranylgeranoic acid 2,3-diacetoxypropyl ester |
| Comments |
Original formula: C25[13C]2H42O6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O6 |
| InChI |
InChI=1S/C27H42O6/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-27(30)32-19-26(33-25(7)29)18-31-24(6)28/h11,13,15,17,26H,8-10,12,14,16,18-19H2,1-7H3/b21-13+,22-15+,23-17+/i5+1,23+1 |
| InChIKey |
CLNNPMRJVXIIOK-JTFGFHPDSA-N |
| Molecular Weight |
464.612 g/mol |
| SMILES |
[13CH3]\[13C](=C/C(=O)OCC(OC(=O)C)COC(=O)C)CC\C=C\(CC\C=C\(CCC=C(C)C)C)C |
| SPLASH |
splash10-052k-3920000000-cafb3c82180b6ee86048 |
| Source of Spectrum |
F-56-2511-4 |
| Wiley ID |
856613 |
