![9-O-[[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTYL]-1,1,5-TRIMETHYL-4-CYCLOHEXEN-3-ONE;MAJOR-ISOMER](/api/spectrum/7NrGwxvFDnq/structure.png?h=300&w=458 "9-O-[[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTYL]-1,1,5-TRIMETHYL-4-CYCLOHEXEN-3-ONE;MAJOR-ISOMER")
| SpectraBase Compound ID | 94NZu2SKJFz |
|---|---|
| InChI | InChI=1S/C25H42O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h7,12,14-24,26,28-33H,5-6,8-10H2,1-4H3/t12-,14?,15-,16+,17-,18+,19+,20-,21-,22+,23-,24+/m1/s1 |
| InChIKey | YYNVBNQMBDXSDX-IRQJGKIWSA-N |
| Mol Weight | 534.6 g/mol |
| Molecular Formula | C25H42O12 |
| Exact Mass | 534.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NrGwxvFDnq |
|---|---|
| Name | 9-O-[[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTYL]-1,1,5-TRIMETHYL-4-CYCLOHEXEN-3-ONE;MAJOR-ISOMER |
| Compound Number | 6+7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H42O12 |
| InChI | InChI=1S/C25H42O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h7,12,14-24,26,28-33H,5-6,8-10H2,1-4H3/t12-,14?,15-,16+,17-,18+,19+,20-,21-,22+,23-,24+/m1/s1 |
| InChIKey | YYNVBNQMBDXSDX-IRQJGKIWSA-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 | 534.601 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1318 |