| SpectraBase Compound ID | Jl2Zk0cqeJ1 |
|---|---|
| InChI | InChI=1S/C41H44O20/c1-54-28-16-22(4-10-25(28)45)7-13-33(49)58-38-30(18-42)60-41(20-43,39(38)59-34(50)14-8-23-5-11-26(46)29(17-23)55-2)61-40-37(53)36(52)35(51)31(57-40)19-56-32(48)12-6-21-3-9-24(44)27(47)15-21/h3-17,30-31,35-40,42-47,51-53H,18-20H2,1-2H3/b12-6+,13-7+,14-8+/t30-,31+,35+,36-,37+,38-,39+,40+,41+/m1/s1 |
| InChIKey | SYZMKSKEEBMJJR-FKBSKFSVSA-N |
| Mol Weight | 856.8 g/mol |
| Molecular Formula | C41H44O20 |
| Exact Mass | 856.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHkNsiha4Rz |
|---|---|
| Name | 3,4-O-BETA-D-DI-FERULOYL-FRUCTOFURANOSYL-6-O-ALPHA-D-(CAFFEOYL)-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H44O20 |
| InChI | InChI=1S/C41H44O20/c1-54-28-16-22(4-10-25(28)45)7-13-33(49)58-38-30(18-42)60-41(20-43,39(38)59-34(50)14-8-23-5-11-26(46)29(17-23)55-2)61-40-37(53)36(52)35(51)31(57-40)19-56-32(48)12-6-21-3-9-24(44)27(47)15-21/h3-17,30-31,35-40,42-47,51-53H,18-20H2,1-2H3/b12-6+,13-7+,14-8+/t30-,31+,35+,36-,37+,38-,39+,40+,41+/m1/s1 |
| InChIKey | SYZMKSKEEBMJJR-FKBSKFSVSA-N |
| Literature Reference Author | L.LEPORE,N.MALAFRONTE,F.B.CONDERO,M.J.GUALTIERI,S.ABDO,F.D.P IAZ,N.DETOMMASI |
| Literature Reference Citation | FITOTERAPIA,82,178(2011) |
| Literature Reference DOI | 10.1016/j.fitote.2010.08.018 |
| Molecular Weight | 856.788 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWDB1185 |