| SpectraBase Compound ID | I7UABxNTbJU |
|---|---|
| InChI | InChI=1S/C22H36O10/c1-6-22(5,9-7-8-13(2)3)32-20-19(28)18(27)17(26)14(31-20)12-30-16(25)11-21(4,29)10-15(23)24/h6,8,14,17-20,26-29H,1,7,9-12H2,2-5H3,(H,23,24)/t14-,17-,18+,19-,20+,21?,22?/m0/s1 |
| InChIKey | XRMMCMHXWZRGER-YLDQBLFMSA-N |
| Mol Weight | 460.5 g/mol |
| Molecular Formula | C22H36O10 |
| Exact Mass | 460.230847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 139jurFmmNG |
|---|---|
| Name | LINALYL-6'-O-(3''-HYDROXY-3''-METHYL-GLUTAROYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H36O10 |
| InChI | InChI=1S/C22H36O10/c1-6-22(5,9-7-8-13(2)3)32-20-19(28)18(27)17(26)14(31-20)12-30-16(25)11-21(4,29)10-15(23)24/h6,8,14,17-20,26-29H,1,7,9-12H2,2-5H3,(H,23,24)/t14-,17-,18+,19-,20+,21?,22?/m0/s1 |
| InChIKey | XRMMCMHXWZRGER-YLDQBLFMSA-N |
| Literature Reference Author | R.FANG,N.C.VEITCH,G.C.KITE,M.J.R.HOWES,E.A.PORTER,M.S.J.SIMM ONDS |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,124(2011) |
| Literature Reference DOI | 10.1248/cpb.59.124 |
| Molecular Weight | 460.522 g/mol |
| Sample ID | 2661 |
| Solvent | CD3OD |