| SpectraBase Compound ID | 90vZAN3N7xU |
|---|---|
| InChI | InChI=1S/C25H26O13/c1-35-17-8-13(9-18(36-2)21(17)30)23(31)38-22-16(28)10-25(34,24(32)33)11-19(22)37-20(29)6-4-12-3-5-14(26)15(27)7-12/h3-9,16,19,22,26-28,30,34H,10-11H2,1-2H3,(H,32,33)/b6-4+/t16-,19-,22-,25+/m0/s1 |
| InChIKey | YAVQVQGHJZVPCC-XGXRDLAHSA-N |
| Mol Weight | 534.47 g/mol |
| Molecular Formula | C25H26O13 |
| Exact Mass | 534.137341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OB1cyORLX4 |
|---|---|
| Name | 5-O-CAFFEOYL-4-O-SYRINGOYLQUINIC_ACID |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H26O13 |
| InChI | InChI=1S/C25H26O13/c1-35-17-8-13(9-18(36-2)21(17)30)23(31)38-22-16(28)10-25(34,24(32)33)11-19(22)37-20(29)6-4-12-3-5-14(26)15(27)7-12/h3-9,16,19,22,26-28,30,34H,10-11H2,1-2H3,(H,32,33)/b6-4+/t16-,19-,22-,25+/m0/s1 |
| InChIKey | YAVQVQGHJZVPCC-XGXRDLAHSA-N |
| Literature Reference Author | S.SONG,Y.LI,Z.FENG,J.JIANG,P.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,73,177(2010) |
| Literature Reference DOI | 10.1021/np900593q |
| Molecular Weight | 534.474 g/mol |
| Sample ID | 34441 |
| Solvent | DMSO-D6 |