| SpectraBase Compound ID | B4UuMXwGx1a |
|---|---|
| InChI | InChI=1S/C42H46O20/c1-54-28-16-22(4-10-25(28)44)7-13-33(47)57-20-32-37(51)40(60-35(49)15-9-24-6-12-27(46)30(18-24)56-3)42(61-32,62-41-39(53)38(52)36(50)31(19-43)59-41)21-58-34(48)14-8-23-5-11-26(45)29(17-23)55-2/h4-18,31-32,36-41,43-46,50-53H,19-21H2,1-3H3/b13-7+,14-8+,15-9+/t31-,32-,36-,37-,38+,39-,40+,41-,42+/m0/s1 |
| InChIKey | FFNAFGRRWKNBNB-HPGQIMDQSA-N |
| Mol Weight | 870.8 g/mol |
| Molecular Formula | C42H46O20 |
| Exact Mass | 870.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41CJikZdZ57 |
|---|---|
| Name | SMILASIDE-L;(1,3,6-O-TRIFERULOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O20 |
| InChI | InChI=1S/C42H46O20/c1-54-28-16-22(4-10-25(28)44)7-13-33(47)57-20-32-37(51)40(60-35(49)15-9-24-6-12-27(46)30(18-24)56-3)42(61-32,62-41-39(53)38(52)36(50)31(19-43)59-41)21-58-34(48)14-8-23-5-11-26(45)29(17-23)55-2/h4-18,31-32,36-41,43-46,50-53H,19-21H2,1-3H3/b13-7+,14-8+,15-9+/t31-,32-,36-,37-,38+,39-,40+,41-,42+/m0/s1 |
| InChIKey | FFNAFGRRWKNBNB-HPGQIMDQSA-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 | 870.815 g/mol |
| Sample ID | 44056 |
| Solvent | CD3OD |