| SpectraBase Compound ID | EaT3t3zFMoR |
|---|---|
| InChI | InChI=1S/C32H46O6/c1-9-19(3)28(34)37-26-13-14-30(7)24-12-11-23-17-32(24,16-21(23)5)27(38-29(35)20(4)10-2)15-25(30)31(26,8)18-36-22(6)33/h9-10,23-27H,5,11-18H2,1-4,6-8H3/b19-9+,20-10+/t23-,24+,25?,26-,27+,30+,31-,32+/m1/s1 |
| InChIKey | PKBOXSDBMJQPHV-AIZRDAGFSA-N |
| Mol Weight | 526.7 g/mol |
| Molecular Formula | C32H46O6 |
| Exact Mass | 526.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGAipicB2pz |
|---|---|
| Name | 3,7-DITIGLOYL-LINEAROL |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46O6 |
| InChI | InChI=1S/C32H46O6/c1-9-19(3)28(34)37-26-13-14-30(7)24-12-11-23-17-32(24,16-21(23)5)27(38-29(35)20(4)10-2)15-25(30)31(26,8)18-36-22(6)33/h9-10,23-27H,5,11-18H2,1-4,6-8H3/b19-9+,20-10+/t23-,24+,25?,26-,27+,30+,31-,32+/m1/s1 |
| InChIKey | PKBOXSDBMJQPHV-AIZRDAGFSA-N |
| Literature Reference Author | M.BRUNO,S.ROSSELLI,I.PIBIRI,F.PIOZZI,M.L.BONDI,M.S.J.SIMMOND S |
| Literature Reference Citation | PHYTOCHEM.,58,463(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00252-7 |
| Molecular Weight | 526.714 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2862 |