| SpectraBase Compound ID | 8eUbGGhyEbJ |
|---|---|
| InChI | InChI=1S/C19H30O9/c1-9-6-11(21)7-19(3,18(25)26)12(9)5-4-10(2)27-17-16(24)15(23)14(22)13(8-20)28-17/h6,10,12-17,20,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t10?,12?,13-,14-,15+,16-,17-,19?/m1/s1 |
| InChIKey | CTEVPQFAPGWEET-JWEJHNBTSA-N |
| Mol Weight | 402.44 g/mol |
| Molecular Formula | C19H30O9 |
| Exact Mass | 402.188983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DLYus3FKDNN |
|---|---|
| Name | 6-(9-O-BETA-D-GLUCOPYRANOSYL)-HYDROXYBUTYL-1,5-DIMETHYL-4-CYCLOHEXEN-3-ONE-1-CARBOXYLIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H30O9 |
| InChI | InChI=1S/C19H30O9/c1-9-6-11(21)7-19(3,18(25)26)12(9)5-4-10(2)27-17-16(24)15(23)14(22)13(8-20)28-17/h6,10,12-17,20,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t10?,12?,13-,14-,15+,16-,17-,19?/m1/s1 |
| InChIKey | CTEVPQFAPGWEET-JWEJHNBTSA-N |
| Literature Reference Author | W.MAIER,J.SCHMIDT,M.NIMTZ,V.WRAY,D.STRACK |
| Literature Reference Citation | PHYTOCHEM.,54,473(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00047-9 |
| Molecular Weight | 402.442 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1320 |