| SpectraBase Compound ID | BVR7NwC42Av |
|---|---|
| InChI | InChI=1S/C36H44O20/c1-17(39)52-33-30(44)25(15-51-26(40)8-6-18-10-20(47-2)28(42)21(11-18)48-3)53-35(32(33)46)56-36(16-38)34(31(45)24(14-37)55-36)54-27(41)9-7-19-12-22(49-4)29(43)23(13-19)50-5/h6-13,24-25,30-35,37-38,42-46H,14-16H2,1-5H3/b8-6+,9-7+/t24-,25-,30-,31-,32-,33+,34+,35-,36+/m0/s1 |
| InChIKey | ZQTCCKBIIGONCD-ZIDDGNEESA-N |
| Mol Weight | 796.7 g/mol |
| Molecular Formula | C36H44O20 |
| Exact Mass | 796.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5YGqG78jsSF |
|---|---|
| Name | BETA-D-(3-0-SINAPOYL)-FRUCTOFURANOSYL-ALPHA-D-(3-0-ACETYL-6-0-SINAPOYL)-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44O20 |
| InChI | InChI=1S/C36H44O20/c1-17(39)52-33-30(44)25(15-51-26(40)8-6-18-10-20(47-2)28(42)21(11-18)48-3)53-35(32(33)46)56-36(16-38)34(31(45)24(14-37)55-36)54-27(41)9-7-19-12-22(49-4)29(43)23(13-19)50-5/h6-13,24-25,30-35,37-38,42-46H,14-16H2,1-5H3/b8-6+,9-7+/t24-,25-,30-,31-,32-,33+,34+,35-,36+/m0/s1 |
| InChIKey | ZQTCCKBIIGONCD-ZIDDGNEESA-N |
| Literature Reference Author | A.BASHIR,M.HAMBURGER,J.D.MSONTHI,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,32,741(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95164-1 |
| Molecular Weight | 796.733 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI8815 |