![9-O-[[BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTYL]-1,1,5-TRIMETHYL-4-CYCLOHEXEN-3-ONE](/api/spectrum/7MAga0puSR/structure.png?h=300&w=458 "9-O-[[BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTYL]-1,1,5-TRIMETHYL-4-CYCLOHEXEN-3-ONE")
| SpectraBase Compound ID | 5NDUXBXTMNj |
|---|---|
| InChI | InChI=1S/C31H52O17/c1-12-7-14(34)8-31(3,4)15(12)6-5-13(2)44-30-27(48-29-26(42)23(39)20(36)17(10-33)46-29)24(40)21(37)18(47-30)11-43-28-25(41)22(38)19(35)16(9-32)45-28/h7,13,15-30,32-33,35-42H,5-6,8-11H2,1-4H3/t13?,15?,16-,17+,18+,19-,20+,21+,22+,23-,24-,25-,26+,27+,28-,29-,30+/m0/s1 |
| InChIKey | YTLBSKDLPTZZSM-CKSITZBWSA-N |
| Mol Weight | 696.7 g/mol |
| Molecular Formula | C31H52O17 |
| Exact Mass | 696.32045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MAga0puSR |
|---|---|
| Name | 9-O-[[BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTYL]-1,1,5-TRIMETHYL-4-CYCLOHEXEN-3-ONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O17 |
| InChI | InChI=1S/C31H52O17/c1-12-7-14(34)8-31(3,4)15(12)6-5-13(2)44-30-27(48-29-26(42)23(39)20(36)17(10-33)46-29)24(40)21(37)18(47-30)11-43-28-25(41)22(38)19(35)16(9-32)45-28/h7,13,15-30,32-33,35-42H,5-6,8-11H2,1-4H3/t13?,15?,16-,17+,18+,19-,20+,21+,22+,23-,24-,25-,26+,27+,28-,29-,30+/m0/s1 |
| InChIKey | YTLBSKDLPTZZSM-CKSITZBWSA-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 | 696.744 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1316 |