| SpectraBase Compound ID | 3j9g3DzJuRP |
|---|---|
| InChI | InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,21-/m1/s1 |
| InChIKey | KVSQIVFQSWVUGM-PUUOCPMLSA-N |
| Mol Weight | 416.5 g/mol |
| Molecular Formula | C21H36O8 |
| Exact Mass | 416.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WEYc5MpxOT |
|---|---|
| Name | KESSYL-GLYCOL-8-O-GLUCOPYRANOSIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O8 |
| InChI | InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,21-/m1/s1 |
| InChIKey | KVSQIVFQSWVUGM-PUUOCPMLSA-N |
| Literature Reference Author | K.NISHIYA,T.KIMURA,K.TAKEYA,H.ITOKAWA |
| Literature Reference Citation | PHYTOCHEM.,31,3511(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83718-E |
| Molecular Weight | 416.512 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS27092 |