| SpectraBase Spectrum ID |
3d5hxitfJrN |
| Name |
2-Prenylhydroquinone-1-.beta.-D-glucoside, 5me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.230453428 u |
| Formula |
C22H34O7 |
| InChI |
InChI=1S/C22H34O7/c1-14(2)8-9-15-12-16(24-4)10-11-17(15)28-22-21(27-7)20(26-6)19(25-5)18(29-22)13-23-3/h8,10-12,18-22H,9,13H2,1-7H3/t18-,19-,20+,21-,22-/m1/s1 |
| InChIKey |
VGQRXOXLXIWFBG-QMCAAQAGSA-N |
| Molecular Weight |
410.507 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)CC=C(C)C)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886288 |
