| SpectraBase Compound ID | AjIbU1C3pEZ |
|---|---|
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1 |
| InChIKey | KRZBCHWVBQOTNZ-ZSGFIFMUSA-N |
| Mol Weight | 516.46 g/mol |
| Molecular Formula | C25H24O12 |
| Exact Mass | 516.126776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Id9mb0Vef1L |
|---|---|
| Name | 3,5-DI-O-CAFFEOYLQUINIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H24O12 |
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1 |
| InChIKey | KRZBCHWVBQOTNZ-ZSGFIFMUSA-N |
| Literature Reference Author | M.KODOMA,H.WADA,H.OTANI,K.KOHMOTO,Y.KIMURA |
| Literature Reference Citation | PHYTOCHEM.,47,371(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00621-3 |
| Molecular Weight | 516.458 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMS128 |