| SpectraBase Compound ID | 6XQrcOZFBGy |
|---|---|
| InChI | InChI=1S/C43H46O20/c1-23(45)59-40-39(54)37(52)32(20-44)60-42(40)63-43(22-58-35(50)15-8-24-4-11-27(46)12-5-24)41(61-36(51)17-10-26-7-14-29(48)31(19-26)56-3)38(53)33(62-43)21-57-34(49)16-9-25-6-13-28(47)30(18-25)55-2/h4-19,32-33,37-42,44,46-48,52-54H,20-22H2,1-3H3/b15-8+,16-9+,17-10+/t32-,33-,37-,38-,39+,40-,41+,42-,43+/m0/s1 |
| InChIKey | JFUNTNHRWXZULB-JDDZHTTMSA-N |
| Mol Weight | 882.8 g/mol |
| Molecular Formula | C43H46O20 |
| Exact Mass | 882.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Lh4knUKZ79 |
|---|---|
| Name | SMILASIDE-K;(1-O-PARA-COUMAROYL-3,6-O-DIFERULOYL)-BETA-D-FRUCTOFURANOSYL-(2->1)-(2-O-ACETYL)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H46O20 |
| InChI | InChI=1S/C43H46O20/c1-23(45)59-40-39(54)37(52)32(20-44)60-42(40)63-43(22-58-35(50)15-8-24-4-11-27(46)12-5-24)41(61-36(51)17-10-26-7-14-29(48)31(19-26)56-3)38(53)33(62-43)21-57-34(49)16-9-25-6-13-28(47)30(18-25)55-2/h4-19,32-33,37-42,44,46-48,52-54H,20-22H2,1-3H3/b15-8+,16-9+,17-10+/t32-,33-,37-,38-,39+,40-,41+,42-,43+/m0/s1 |
| InChIKey | JFUNTNHRWXZULB-JDDZHTTMSA-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 | 882.826 g/mol |
| Sample ID | 44055 |
| Solvent | CD3OD |