| SpectraBase Compound ID | GmQyCxLc1OU |
|---|---|
| InChI | InChI=1S/C29H32O12/c1-2-3-12-39-28(37)29(38)15-23(40-25(34)10-6-17-4-8-19(30)21(32)13-17)27(36)24(16-29)41-26(35)11-7-18-5-9-20(31)22(33)14-18/h4-11,13-14,23-24,27,30-33,36,38H,2-3,12,15-16H2,1H3/b10-6+,11-7+/t23-,24-,27-,29+/m0/s1 |
| InChIKey | IRYUSEHMFJVVIB-UBVWIDQVSA-N |
| Mol Weight | 572.6 g/mol |
| Molecular Formula | C29H32O12 |
| Exact Mass | 572.189376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5icb0yT5pkQ |
|---|---|
| Name | 3,5-DICAFFEOYL-QUINIC-ACID-BUTYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H32O12 |
| InChI | InChI=1S/C29H32O12/c1-2-3-12-39-28(37)29(38)15-23(40-25(34)10-6-17-4-8-19(30)21(32)13-17)27(36)24(16-29)41-26(35)11-7-18-5-9-20(31)22(33)14-18/h4-11,13-14,23-24,27,30-33,36,38H,2-3,12,15-16H2,1H3/b10-6+,11-7+/t23-,24-,27-,29+/m0/s1 |
| InChIKey | IRYUSEHMFJVVIB-UBVWIDQVSA-N |
| Literature Reference Author | L.Y.PENG,S.X.MEI,B.JIANG,H.ZHOU,H.D.SUN |
| Literature Reference Citation | FITOTERAPIA,71,713(2000) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00212-4 |
| Molecular Weight | 572.566 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN3909 |