| SpectraBase Compound ID | L6WyjT2VWdV |
|---|---|
| InChI | InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+/t30-,31+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1 |
| InChIKey | HVHNDGOZMSAQDC-MYXVVGSNSA-N |
| Mol Weight | 960.9 g/mol |
| Molecular Formula | C45H52O23 |
| Exact Mass | 960.289938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HgtSI09C28A |
|---|---|
| Name | 1,2,2'-TRISINAPOYLGENTIOBIOSE;6-O-BETA-D-(2'-O-SINAPOYL)-GLUCOPYRANOSYL-BETA-D-(1-O-SINAPOYL,2-O-SINAPOYL)-GLUCOPYRANOSE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H52O23 |
| InChI | InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+/t30-,31+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1 |
| InChIKey | HVHNDGOZMSAQDC-MYXVVGSNSA-N |
| Literature Reference Author | K.R.PRICE,F.CASUSCELLI,I.J.COLQUHOUN,M.J.C.RHODES |
| Literature Reference Citation | PHYTOCHEM.,45,1683(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00246-X |
| Molecular Weight | 960.894 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP403 |