| SpectraBase Compound ID | 9plQOy2wpzp |
|---|---|
| InChI | InChI=1S/C34H30O14/c35-22-8-1-19(2-9-22)5-12-31(42)48-32-27(46-29(40)13-6-20-3-10-23(36)25(38)15-20)17-34(45,33(43)44)18-28(32)47-30(41)14-7-21-4-11-24(37)26(39)16-21/h1-16,27-28,32,35-39,45H,17-18H2,(H,43,44)/b12-5+,13-6+,14-7+/t27-,28-,32-,34+/m0/s1 |
| InChIKey | JUAREVOIBUFAFJ-BMPLDNPVSA-N |
| Mol Weight | 662.6 g/mol |
| Molecular Formula | C34H30O14 |
| Exact Mass | 662.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYbFe6CIArz |
|---|---|
| Name | 3,5-DI-O-CAFFEOYL-4-O-COUMAROYL-QUINIC_ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H30O14 |
| InChI | InChI=1S/C34H30O14/c35-22-8-1-19(2-9-22)5-12-31(42)48-32-27(46-29(40)13-6-20-3-10-23(36)25(38)15-20)17-34(45,33(43)44)18-28(32)47-30(41)14-7-21-4-11-24(37)26(39)16-21/h1-16,27-28,32,35-39,45H,17-18H2,(H,43,44)/b12-5+,13-6+,14-7+/t27-,28-,32-,34+/m0/s1 |
| InChIKey | JUAREVOIBUFAFJ-BMPLDNPVSA-N |
| Literature Reference Author | F.TERAMACHI,T.KOYANO,T.KOWITHAYAKORN,M.HAYASHI,K.KOMIYAMA,M. ISHIBASHI |
| Literature Reference Citation | J.NAT.PROD.,68,794(2005) |
| Literature Reference DOI | 10.1021/np0500631 |
| Molecular Weight | 662.604 g/mol |
| Solvent | CD3OD |