| SpectraBase Compound ID | KW7tQ5q1FZy |
|---|---|
| InChI | InChI=1S/C36H54O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36+/m0/s1 |
| InChIKey | PIGTXFOGKFOFTO-FVFWYJKVSA-N |
| Mol Weight | 662.8 g/mol |
| Molecular Formula | C36H54O11 |
| Exact Mass | 662.366613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uWmKAwQeeu |
|---|---|
| Name | QUILLAIC-ACID-3-O-GLUCURONOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O11 |
| InChI | InChI=1S/C36H54O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36+/m0/s1 |
| InChIKey | PIGTXFOGKFOFTO-FVFWYJKVSA-N |
| Literature Reference Author | S.BOUGET-BONNET,M.ROCHD,P.MUTZENHARDT,M.HENRY |
| Literature Reference Citation | MAGN.RES.CHEM.,40,618(2002) |
| Literature Reference DOI | 10.1002/mrc.1069 |
| Molecular Weight | 662.818 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWKP6421 |