| SpectraBase Compound ID | KGLioCm8Q0 |
|---|---|
| InChI | InChI=1S/C25H30O13/c1-25(34)7-6-12-13(22(32)33)10-35-23(18(12)25)38-24-21(20(31)19(30)16(9-26)36-24)37-17(29)5-3-11-2-4-14(27)15(28)8-11/h2-5,8,10,12,16,18-21,23-24,26-28,30-31,34H,6-7,9H2,1H3,(H,32,33)/b5-3+/t12-,16-,18-,19-,20+,21-,23+,24+,25+/m1/s1 |
| InChIKey | OAVWXHKJUVCZLJ-OWDFILOBSA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C25H30O13 |
| Exact Mass | 538.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkwXzSWbmOi |
|---|---|
| Name | 2'-CAFFEOYL-MUSSAENOSIDIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O13 |
| InChI | InChI=1S/C25H30O13/c1-25(34)7-6-12-13(22(32)33)10-35-23(18(12)25)38-24-21(20(31)19(30)16(9-26)36-24)37-17(29)5-3-11-2-4-14(27)15(28)8-11/h2-5,8,10,12,16,18-21,23-24,26-28,30-31,34H,6-7,9H2,1H3,(H,32,33)/b5-3+/t12-,16-,18-,19-,20+,21-,23+,24+,25+/m1/s1 |
| InChIKey | OAVWXHKJUVCZLJ-OWDFILOBSA-N |
| Literature Reference Author | M.T.FAUVEL,A.BOUSQUET-MELOU,C.MOULIS,J.GLEYE,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,38,893(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00750-N |
| Molecular Weight | 538.505 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS3750 |