| SpectraBase Compound ID | 2DDisaVn1Go |
|---|---|
| InChI | InChI=1S/C39H60O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-38(40)43-29-23-26-35-31-36(41-5)39(37(32-35)42-6)44-30-28-34(4)25-22-24-33(2)3/h11-12,14-15,23-24,26,28,31-32H,7-10,13,16-22,25,27,29-30H2,1-6H3/b12-11-,15-14-,26-23+,34-28+ |
| InChIKey | APGVHKPCMRXAPJ-VXPBKLFUSA-N |
| Mol Weight | 608.9 g/mol |
| Molecular Formula | C39H60O5 |
| Exact Mass | 608.444075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8AEoQjeqLzD |
|---|---|
| Name | LINOLEIC-ACID-4-O-GERANYL-SINAPYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60O5 |
| InChI | InChI=1S/C39H60O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-38(40)43-29-23-26-35-31-36(41-5)39(37(32-35)42-6)44-30-28-34(4)25-22-24-33(2)3/h11-12,14-15,23-24,26,28,31-32H,7-10,13,16-22,25,27,29-30H2,1-6H3/b12-11-,15-14-,26-23+,34-28+ |
| InChIKey | APGVHKPCMRXAPJ-VXPBKLFUSA-N |
| Literature Reference Author | Y.ZHAO,Z.JIA,L.YANG |
| Literature Reference Citation | PHYTOCHEM.,37,1149(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89547-3 |
| Molecular Weight | 608.902 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU24060 |