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| SpectraBase Compound ID | 9AGYyrqp4GB |
|---|---|
| InChI | InChI=1S/C28H30O13/c1-37-19-11-16(12-20(38-2)25(19)33)6-9-24(32)41-22-14-28(36,27(35)39-3)13-21(26(22)34)40-23(31)8-5-15-4-7-17(29)18(30)10-15/h4-12,21-22,26,29-30,33-34,36H,13-14H2,1-3H3/b8-5+,9-6+/t21-,22-,26+,28-/m0/s1 |
| InChIKey | QXOKQINPRTYYQK-MORGYPQKSA-N |
| Mol Weight | 574.54 g/mol |
| Molecular Formula | C28H30O13 |
| Exact Mass | 574.168641 g/mol |
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TwCbtnU4Hv |
|---|---|
| Name | METHYL_5-O-CAFFEOYL-3-O-SINPOYLQUINATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30O13 |
| InChI | InChI=1S/C28H30O13/c1-37-19-11-16(12-20(38-2)25(19)33)6-9-24(32)41-22-14-28(36,27(35)39-3)13-21(26(22)34)40-23(31)8-5-15-4-7-17(29)18(30)10-15/h4-12,21-22,26,29-30,33-34,36H,13-14H2,1-3H3/b8-5+,9-6+/t21-,22-,26+,28-/m0/s1 |
| InChIKey | QXOKQINPRTYYQK-MORGYPQKSA-N |
| Literature Reference Author | H.J.KIM,E.J.KIM,S.H.SEO,C.G.SHIN,C.JIN,Y.S.LEE |
| Literature Reference Citation | J.NAT.PROD.,69,600(2006) |
| Literature Reference DOI | 10.1021/np050447r |
| Molecular Weight | 574.538 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18217 |
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