![9-O-[[BETA-D-GLUCOPYRANOSYL)-HYDROXYBUTYL]-1,1-DIMETHYL-4-CYCLOHEXEN-3-ONE-5-CARBOXYLIC-ACID](/api/spectrum/DAG3fBRzlNy/structure.png?h=300&w=458 "9-O-[[BETA-D-GLUCOPYRANOSYL)-HYDROXYBUTYL]-1,1-DIMETHYL-4-CYCLOHEXEN-3-ONE-5-CARBOXYLIC-ACID")
| SpectraBase Compound ID | DbHYDrmKZxS |
|---|---|
| InChI | InChI=1S/C19H30O9/c1-9(27-18-16(24)15(23)14(22)13(8-20)28-18)4-5-12-11(17(25)26)6-10(21)7-19(12,2)3/h6,9,12-16,18,20,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t9?,12?,13-,14-,15+,16-,18-/m0/s1 |
| InChIKey | HFYDDOQMBZTGBR-ILKHCOHZSA-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 | DAG3fBRzlNy |
|---|---|
| Name | 9-O-[[BETA-D-GLUCOPYRANOSYL)-HYDROXYBUTYL]-1,1-DIMETHYL-4-CYCLOHEXEN-3-ONE-5-CARBOXYLIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H30O9 |
| InChI | InChI=1S/C19H30O9/c1-9(27-18-16(24)15(23)14(22)13(8-20)28-18)4-5-12-11(17(25)26)6-10(21)7-19(12,2)3/h6,9,12-16,18,20,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t9?,12?,13-,14-,15+,16-,18-/m0/s1 |
| InChIKey | HFYDDOQMBZTGBR-ILKHCOHZSA-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 | UWLU1317 |