| SpectraBase Compound ID | 85gy7maAZgc |
|---|---|
| InChI | InChI=1S/C41H44O19/c1-53-28-17-23(5-12-26(28)44)8-14-32(46)55-20-31-36(50)39(58-34(48)16-7-22-3-10-25(43)11-4-22)41(59-31,60-40-38(52)37(51)35(49)30(19-42)57-40)21-56-33(47)15-9-24-6-13-27(45)29(18-24)54-2/h3-18,30-31,35-40,42-45,49-52H,19-21H2,1-2H3/b14-8+,15-9+,16-7+/t30-,31-,35-,36-,37+,38-,39+,40-,41+/m0/s1 |
| InChIKey | VYMMTCTURQFSOW-YDMWXATGSA-N |
| Mol Weight | 840.8 g/mol |
| Molecular Formula | C41H44O19 |
| Exact Mass | 840.247679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gCKptJlG3W |
|---|---|
| Name | SMILASIDE-J;(3-O-PARA-COUMAROYL-1,6-O-DIFERULOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H44O19 |
| InChI | InChI=1S/C41H44O19/c1-53-28-17-23(5-12-26(28)44)8-14-32(46)55-20-31-36(50)39(58-34(48)16-7-22-3-10-25(43)11-4-22)41(59-31,60-40-38(52)37(51)35(49)30(19-42)57-40)21-56-33(47)15-9-24-6-13-27(45)29(18-24)54-2/h3-18,30-31,35-40,42-45,49-52H,19-21H2,1-2H3/b14-8+,15-9+,16-7+/t30-,31-,35-,36-,37+,38-,39+,40-,41+/m0/s1 |
| InChIKey | VYMMTCTURQFSOW-YDMWXATGSA-N |
| Literature Reference Author | L.ZHANG,C.C.LIAO,H.C.HUANG,Y.C.SHEN,L.M.YANG,Y.H.KUO |
| Literature Reference Citation | PHYTOCHEM.,69,1398(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.01.002 |
| Molecular Weight | 840.789 g/mol |
| Sample ID | 44054 |
| Solvent | CD3OD |