| SpectraBase Spectrum ID |
JTk8Sojzfth |
| Name |
2-Prenylhydroquinone-1-.beta.-D-glucoside, 5ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
550.205026523 u |
| Formula |
C27H34O12 |
| InChI |
InChI=1S/C27H34O12/c1-14(2)8-9-20-12-21(34-16(4)29)10-11-22(20)38-27-26(37-19(7)32)25(36-18(6)31)24(35-17(5)30)23(39-27)13-33-15(3)28/h8,10-12,23-27H,9,13H2,1-7H3/t23-,24-,25+,26-,27-/m1/s1 |
| InChIKey |
YWUALXPFAWLXBS-IURCNINISA-N |
| Molecular Weight |
550.557 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC(=O)C)CC=C(C)C)O[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879559 |
