| SpectraBase Compound ID | HmO7BR9WuZM |
|---|---|
| InChI | InChI=1S/C42H44O19/c1-23(44)57-39-38(53)36(51)31(20-43)58-41(39)61-42(22-56-34(49)16-8-24-3-11-27(45)12-4-24)40(59-35(50)18-9-25-5-13-28(46)14-6-25)37(52)32(60-42)21-55-33(48)17-10-26-7-15-29(47)30(19-26)54-2/h3-19,31-32,36-41,43,45-47,51-53H,20-22H2,1-2H3/b16-8+,17-10+,18-9+/t31-,32-,36-,37-,38+,39-,40+,41-,42+/m0/s1 |
| InChIKey | LVFWZZFIRQCFMJ-NPACUDMMSA-N |
| Mol Weight | 852.8 g/mol |
| Molecular Formula | C42H44O19 |
| Exact Mass | 852.247679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRnTJUMuIiz |
|---|---|
| Name | SMILASIDE-H;(1,3-O-DI-PARA-COUMAROYL-6-O-FERULOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-(2-O-ACETYL)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H44O19 |
| InChI | InChI=1S/C42H44O19/c1-23(44)57-39-38(53)36(51)31(20-43)58-41(39)61-42(22-56-34(49)16-8-24-3-11-27(45)12-4-24)40(59-35(50)18-9-25-5-13-28(46)14-6-25)37(52)32(60-42)21-55-33(48)17-10-26-7-15-29(47)30(19-26)54-2/h3-19,31-32,36-41,43,45-47,51-53H,20-22H2,1-2H3/b16-8+,17-10+,18-9+/t31-,32-,36-,37-,38+,39-,40+,41-,42+/m0/s1 |
| InChIKey | LVFWZZFIRQCFMJ-NPACUDMMSA-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 | 852.800 g/mol |
| Sample ID | 44052 |
| Solvent | CD3OD |