| SpectraBase Compound ID | L25YpKNzTlD |
|---|---|
| InChI | InChI=1S/C25H34O13/c1-25(31)9-15(36-22(30)11-7-13(32-2)21(34-4)14(8-11)33-3)12-5-6-35-23(17(12)25)38-24-20(29)19(28)18(27)16(10-26)37-24/h5-8,12,15-20,23-24,26-29,31H,9-10H2,1-4H3/t12-,15+,16-,17+,18-,19+,20-,23-,24+,25-/m0/s1 |
| InChIKey | ISDOCUIPMQVNLK-QNXBWBDGSA-N |
| Mol Weight | 542.5 g/mol |
| Molecular Formula | C25H34O13 |
| Exact Mass | 542.199941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWiCFHSdDsE |
|---|---|
| Name | 6-O-(3,4,5-TRIMETHOXYBENZOYL)-AJUGOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34O13 |
| InChI | InChI=1S/C25H34O13/c1-25(31)9-15(36-22(30)11-7-13(32-2)21(34-4)14(8-11)33-3)12-5-6-35-23(17(12)25)38-24-20(29)19(28)18(27)16(10-26)37-24/h5-8,12,15-20,23-24,26-29,31H,9-10H2,1-4H3/t12-,15+,16-,17+,18-,19+,20-,23-,24+,25-/m0/s1 |
| InChIKey | ISDOCUIPMQVNLK-QNXBWBDGSA-N |
| Literature Reference Author | T.WARASHINA,Y.NAGATANI,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,65,2003(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.06.012 |
| Molecular Weight | 542.537 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN29947 |