| SpectraBase Compound ID | KqZ0R28hXBp |
|---|---|
| InChI | InChI=1S/C32H34O16/c1-31(43,15-25(37)38)16-28(41)48-29-23(46-26(39)9-5-17-3-7-19(33)21(35)11-17)13-32(44,30(42)45-2)14-24(29)47-27(40)10-6-18-4-8-20(34)22(36)12-18/h3-12,23-24,29,33-36,43-44H,13-16H2,1-2H3,(H,37,38)/b9-5+,10-6+/t23-,24-,29-,31?,32+/m0/s1 |
| InChIKey | DARYRELQFBVEME-AGEBAOHZSA-N |
| Mol Weight | 674.6 g/mol |
| Molecular Formula | C32H34O16 |
| Exact Mass | 674.184685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DbA8x9pVSXu |
|---|---|
| Name | METHYL_3,5-DI-O-CAFFEOYL-4-O-(3-HYDROXY-3-METHYL)-GLUTAROYLQUINATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H34O16 |
| InChI | InChI=1S/C32H34O16/c1-31(43,15-25(37)38)16-28(41)48-29-23(46-26(39)9-5-17-3-7-19(33)21(35)11-17)13-32(44,30(42)45-2)14-24(29)47-27(40)10-6-18-4-8-20(34)22(36)12-18/h3-12,23-24,29,33-36,43-44H,13-16H2,1-2H3,(H,37,38)/b9-5+,10-6+/t23-,24-,29-,31?,32+/m0/s1 |
| InChIKey | DARYRELQFBVEME-AGEBAOHZSA-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 | 674.612 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18219 |