| SpectraBase Compound ID | Lx8WRWxqD48 |
|---|---|
| InChI | InChI=1S/C16H28O10S.K/c1-4-16(3,7-5-6-10(2)8-17)25-15-13(20)14(26-27(21,22)23)12(19)11(9-18)24-15;/h4,6,11-15,17-20H,1,5,7-9H2,2-3H3,(H,21,22,23);/q;+1/p-1/b10-6+;/t11-,12-,13-,14+,15+,16+;/m1./s1 |
| InChIKey | JEOOJWFFBLLWJA-XNFBVSBGSA-M |
| Mol Weight | 450.54 g/mol |
| Molecular Formula | C16H27KO10S |
| Exact Mass | 450.0962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZwMTmDGYMI |
|---|---|
| Name | (3S,6E)-8-HYDROXYLINALOOL-3-O-BETA-D-(3-O-POTASSIUM-SULFO)-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H27KO10S |
| InChI | InChI=1S/C16H28O10S.K/c1-4-16(3,7-5-6-10(2)8-17)25-15-13(20)14(26-27(21,22)23)12(19)11(9-18)24-15;/h4,6,11-15,17-20H,1,5,7-9H2,2-3H3,(H,21,22,23);/q;+1/p-1/b10-6+;/t11-,12-,13-,14+,15+,16+;/m1./s1 |
| InChIKey | JEOOJWFFBLLWJA-XNFBVSBGSA-M |
| Literature Reference Author | T.ISHIKAWA,K.KONDO,J.KITAJIMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,32(2003) |
| Literature Reference DOI | 10.1248/cpb.51.32 |
| Molecular Weight | 450.543 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21016 |