| SpectraBase Compound ID | KHlFDrqA8jX |
|---|---|
| InChI | InChI=1S/C31H50O9S/c1-7-8-9-10-11-15-18-41-29-27(39-30(34)40-31(4,5)6)26(36-21-35-20-23-16-13-12-14-17-23)25(24(19-32)37-29)38-28(33)22(2)3/h12-14,16-17,22,24-27,29,32H,7-11,15,18-21H2,1-6H3/t24-,25-,26+,27-,29+/m1/s1 |
| InChIKey | FJYZYZGGMGSUJK-QLZLUGFASA-N |
| Mol Weight | 598.8 g/mol |
| Molecular Formula | C31H50O9S |
| Exact Mass | 598.317554 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 75kRe9sCdXy |
|---|---|
| Name | octyl 3-O-benzyloxymethyl-2-O-tert-butoxycarbonyl-4-O-isobutyryl-.beta.-D-thioglucopyranoside |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O9S |
| InChI | InChI=1S/C31H50O9S/c1-7-8-9-10-11-15-18-41-29-27(39-30(34)40-31(4,5)6)26(36-21-35-20-23-16-13-12-14-17-23)25(24(19-32)37-29)38-28(33)22(2)3/h12-14,16-17,22,24-27,29,32H,7-11,15,18-21H2,1-6H3/t24-,25-,26+,27-,29+/m1/s1 |
| InChIKey | FJYZYZGGMGSUJK-QLZLUGFASA-N |
| Ionization Type | EI |
| Molecular Weight | 598.792 g/mol |
| Optical Rotation | [a]D23 = -38.0 (c = 1.04, CHCl3) |
| Reported Formula | C31H50O9S |
| SMILES | OC[C@@]1([C@]([C@@]([C@]([C@](SCCCCCCCC)(O1)[H])(OC(=O)OC(C)(C)C)[H])(OCOCc1ccccc1)[H])(OC(=O)C(C)C)[H])[H] |
| SPLASH | splash10-0ap0-0796000000-3f10a888e74991ce8535 |
| Source of Spectrum | JP5342163B2 |
| Wiley ID | 1852404 |