| SpectraBase Compound ID | 1U4QAY1OczN |
|---|---|
| InChI | InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10+,11+,12-,13+,15+,16-/m1/s1 |
| InChIKey | DUAGQYUORDTXOR-NLVGPWEUSA-N |
| Mol Weight | 356.33 g/mol |
| Molecular Formula | C16H20O9 |
| Exact Mass | 356.110732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZW9BGH0XY8 |
|---|---|
| Name | GENTIOPICROSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H20O9 |
| InChI | InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10+,11+,12-,13+,15+,16-/m1/s1 |
| InChIKey | DUAGQYUORDTXOR-NLVGPWEUSA-N |
| Literature Reference Author | W.CHANGZENG,Y.DEQUAN |
| Literature Reference Citation | PHYTOCHEM.,45,1483(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00156-8 |
| Molecular Weight | 356.329 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP613 |