| SpectraBase Compound ID | G8qGQ0vZVQ2 |
|---|---|
| InChI | InChI=1S/C22H30O3/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-15-20(22(24)25)13-14-21(19)23/h7,9,11,13-15,23H,5-6,8,10,12H2,1-4H3,(H,24,25)/b17-9+,18-11+ |
| InChIKey | QUYGEGSOVYMIEU-XURGJTJWSA-N |
| Mol Weight | 342.48 g/mol |
| Molecular Formula | C22H30O3 |
| Exact Mass | 342.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFwQIZ9VZj1 |
|---|---|
| Name | 4-HYDROXY-3-(1'-((2'E,6'E)-3',7',11'-TRIMETHYL-2',6',10'-DODECATRIENYL))-BENZOIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O3 |
| InChI | InChI=1S/C22H30O3/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-15-20(22(24)25)13-14-21(19)23/h7,9,11,13-15,23H,5-6,8,10,12H2,1-4H3,(H,24,25)/b17-9+,18-11+ |
| InChIKey | QUYGEGSOVYMIEU-XURGJTJWSA-N |
| Literature Reference Author | S.J.ROCHFORT,R.J.CAPON |
| Literature Reference Citation | J.NAT.PROD.,57,849(1994) |
| Literature Reference DOI | 10.1021/np50108a029 |
| Molecular Weight | 342.478 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1730 |