| SpectraBase Compound ID | AwwLPxN1zRF |
|---|---|
| InChI | InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-24-19(30)12-26(35,25(33)34)13-21(24)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-4+,9-5+/t19-,21-,24-,26+/m0/s1 |
| InChIKey | RKAYMOSEFYVEJU-GEZGQMHDSA-N |
| Mol Weight | 530.48 g/mol |
| Molecular Formula | C26H26O12 |
| Exact Mass | 530.142426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLRFcM9tCMM |
|---|---|
| Name | 4-O-FERULOYL-5-O-CAFFEOYLQUINIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H26O12 |
| InChI | InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-24-19(30)12-26(35,25(33)34)13-21(24)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-4+,9-5+/t19-,21-,24-,26+/m0/s1 |
| InChIKey | RKAYMOSEFYVEJU-GEZGQMHDSA-N |
| Literature Reference Author | Y.NOGATA,K.SEKIYA,H.OHTA,K.I.KUSUMOTO,T.ISHIZU |
| Literature Reference Citation | PHYTOCHEM.,56,729(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00462-3 |
| Molecular Weight | 530.485 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2012 |