| SpectraBase Compound ID | KNjzB3mrqL6 |
|---|---|
| InChI | InChI=1S/C31H36O16/c1-42-20-12-17(4-9-19(20)34)6-11-23(35)43-14-22-26(38)29(41)31(46-22,47-30-28(40)27(39)25(37)21(13-32)45-30)15-44-24(36)10-5-16-2-7-18(33)8-3-16/h2-12,21-22,25-30,32-34,37-41H,13-15H2,1H3/b10-5+,11-6+/t21-,22-,25-,26-,27+,28-,29+,30-,31+/m0/s1 |
| InChIKey | ZKMBADUFQINEPA-DHOIQXTPSA-N |
| Mol Weight | 664.6 g/mol |
| Molecular Formula | C31H36O16 |
| Exact Mass | 664.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KG4jsZdQ013 |
|---|---|
| Name | (1-P-O-COUMAROYL-6-O-FERUROYL)-BETA-D-FRUCTOFURANOSYL-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36O16 |
| InChI | InChI=1S/C31H36O16/c1-42-20-12-17(4-9-19(20)34)6-11-23(35)43-14-22-26(38)29(41)31(46-22,47-30-28(40)27(39)25(37)21(13-32)45-30)15-44-24(36)10-5-16-2-7-18(33)8-3-16/h2-12,21-22,25-30,32-34,37-41H,13-15H2,1H3/b10-5+,11-6+/t21-,22-,25-,26-,27+,28-,29+,30-,31+/m0/s1 |
| InChIKey | ZKMBADUFQINEPA-DHOIQXTPSA-N |
| Literature Reference Author | S.Y.LI,H.FUCHINO,N.KAWAHARA,S.SEKITA,M.SATAKE |
| Literature Reference Citation | J.NAT.PROD.,65,262(2002) |
| Literature Reference DOI | 10.1021/np010338m |
| Molecular Weight | 664.617 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI3940 |