| SpectraBase Compound ID | DsFgLo4FZAK |
|---|---|
| InChI | InChI=1S/C37H44O18/c38-15-25-28(42)30(44)32(46)34(54-25)52-23-9-3-20(4-10-23)17-50-27(41)14-37(49,13-19-1-7-22(40)8-2-19)36(48)51-18-21-5-11-24(12-6-21)53-35-33(47)31(45)29(43)26(16-39)55-35/h1-12,25-26,28-35,38-40,42-47,49H,13-18H2/t25-,26+,28-,29+,30+,31-,32-,33+,34-,35+,37-/m1/s1 |
| InChIKey | DGKISHSPYWCSLM-CDCZGPFQSA-N |
| Mol Weight | 776.7 g/mol |
| Molecular Formula | C37H44O18 |
| Exact Mass | 776.252765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2I5NUzFnFZ0 |
|---|---|
| Name | VANDATEROSIDE_II;1,4-BIS-(4',4''-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-2-(PARA-HYDROXYBENZYL)-MALATE;1,4-BIS-(4',4''- |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H44O18 |
| InChI | InChI=1S/C37H44O18/c38-15-25-28(42)30(44)32(46)34(54-25)52-23-9-3-20(4-10-23)17-50-27(41)14-37(49,13-19-1-7-22(40)8-2-19)36(48)51-18-21-5-11-24(12-6-21)53-35-33(47)31(45)29(43)26(16-39)55-35/h1-12,25-26,28-35,38-40,42-47,49H,13-18H2/t25-,26+,28-,29+,30+,31-,32-,33+,34-,35+,37-/m1/s1 |
| InChIKey | DGKISHSPYWCSLM-CDCZGPFQSA-N |
| Literature Reference Author | C.SIMMLER,C.ANTHEAUME,P.ANDRE,F.BONTE,A.LOBSTEIN |
| Literature Reference Citation | J.NAT.PROD.,74,949(2011) |
| Literature Reference DOI | 10.1021/np1006636 |
| Molecular Weight | 776.746 g/mol |
| Sample ID | 38048 |
| Solvent | DMSO-D6 |