| SpectraBase Spectrum ID |
1Pd5HrQoDg5 |
| Name |
3,20-13C2-E,E.E-geranylgeranoic acid 2-hydroxy-3-acetoxypropyl ester |
| Comments |
Original formula: C23[13C]2H40O5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40O5 |
| InChI |
InChI=1S/C25H40O5/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-25(28)30-18-24(27)17-29-23(6)26/h10,12,14,16,24,27H,7-9,11,13,15,17-18H2,1-6H3/b20-12+,21-14+,22-16+/i5+1,22+1 |
| InChIKey |
YRLGSSSUMSWYFS-UKKCHMHOSA-N |
| Molecular Weight |
422.575 g/mol |
| SMILES |
OC(COC(\C=[13C]/([13CH3])CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O)COC(=O)C |
| SPLASH |
splash10-014r-0920000000-da0a4ffaa7458e5d77cc |
| Source of Spectrum |
F-56-2511-4 |
| Wiley ID |
856612 |
