| SpectraBase Compound ID | G0AS9yJJ6w6 |
|---|---|
| InChI | InChI=1S/C36H70O19.C20H38O11/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41;1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h19-44H,9-18H2,1-8H3;11-20H,9-10H2,1-8H3/t19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+;11-,12-,13-,14-,15+,16+,17-,18-,19-,20+/m11/s1 |
| InChIKey | PUSNGFYSTWMJSK-GSZQVNRLSA-N |
| Mol Weight | 1261.5 g/mol |
| Molecular Formula | C56H108O30 |
| Exact Mass | 1260.692542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4qVheDjOM5 |
|---|---|
| Name | Hydroxypropyl methyl cellulose, average mn ~86,000 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1260.692542048 u |
| Formula | C56H108O30 |
| InChI | InChI=1S/C36H70O19.C20H38O11/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41;1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h19-44H,9-18H2,1-8H3;11-20H,9-10H2,1-8H3/t19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+;11-,12-,13-,14-,15+,16+,17-,18-,19-,20+/m11/s1 |
| InChIKey | PUSNGFYSTWMJSK-GSZQVNRLSA-N |
| SMILES | [C@]1(O[C@@]2([C@@](COCC(C)O)(O[C@]([C@@]([C@]2(OCC(O)C)[H])(OCC(O)C)[H])(OCC(C)O)[H])[H])[H])(O[C@](COCC(C)O)([C@@](OCC(C)O)([C@](OCC(C)O)([C@]1(OCC(O)C)[H])[H])[H])[H])[H].[C@@]1(O[C@](COC)([C@@](OC)([C@](OC)([C@]1(OC)[H])[H])[H])[H])(O[C@@]1([C@](O[C@]([C@@]([C@]1(OC)[H])(OC)[H])(OC)[H])(COC)[H])[H])[H] |