| SpectraBase Spectrum ID |
ANL7jqcSJeH |
| Name |
octyl 3-O-isobutyryl-.beta.-D-thioglucopyranoside |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H34O6S |
| InChI |
InChI=1S/C18H34O6S/c1-4-5-6-7-8-9-10-25-18-15(21)16(24-17(22)12(2)3)14(20)13(11-19)23-18/h12-16,18-21H,4-11H2,1-3H3/t13-,14-,15-,16+,18+/m1/s1 |
| InChIKey |
JHFOWFUFGKSBLA-JLOCXQCDSA-N |
| Ionization Type |
EI |
| Molecular Weight |
378.524 g/mol |
| Optical Rotation |
[a]D20 = -22.1 (c = 0.61, CHCl3) |
| Reported Formula |
C18H34O6S |
| SMILES |
O[C@@]1([C@]([C@@]([C@@](CO)(O[C@]1(SCCCCCCCC)[H])[H])(O)[H])(OC(=O)C(C)C)[H])[H] |
| SPLASH |
splash10-0002-2940000000-d435072fd2f9ed9ee5a3 |
| Source of Spectrum |
JP5342163B2 |
| Wiley ID |
1852397 |
