| SpectraBase Compound ID | 9LNuiMQL6Sc |
|---|---|
| InChI | InChI=1S/C22H28O11/c1-22(29)8-13(31-19(28)10-2-4-11(24)5-3-10)12-6-7-30-20(15(12)22)33-21-18(27)17(26)16(25)14(9-23)32-21/h2-7,12-18,20-21,23-27,29H,8-9H2,1H3/t12-,13+,14-,15+,16-,17+,18-,20-,21+,22-/m0/s1 |
| InChIKey | MYLAQALEHHPXFU-ATKAWZCBSA-N |
| Mol Weight | 468.46 g/mol |
| Molecular Formula | C22H28O11 |
| Exact Mass | 468.163162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUEV1eOMyGU |
|---|---|
| Name | 6-O-(PARA-HYDROXYBENZOYL)-AJUGOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O11 |
| InChI | InChI=1S/C22H28O11/c1-22(29)8-13(31-19(28)10-2-4-11(24)5-3-10)12-6-7-30-20(15(12)22)33-21-18(27)17(26)16(25)14(9-23)32-21/h2-7,12-18,20-21,23-27,29H,8-9H2,1H3/t12-,13+,14-,15+,16-,17+,18-,20-,21+,22-/m0/s1 |
| InChIKey | MYLAQALEHHPXFU-ATKAWZCBSA-N |
| Literature Reference Author | K.NAKANO,K.MARUYAMA,K.MURAKAMI,Y.TAKAISHI,T.TOMIMATSU |
| Literature Reference Citation | PHYTOCHEM.,32,371(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94996-3 |
| Molecular Weight | 468.458 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS3640 |