| SpectraBase Spectrum ID |
6uYBgaXl7t7 |
| Name |
Rosiridin, 5me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.261753557 u |
| Formula |
C21H38O7 |
| InChI |
InChI=1S/C21H38O7/c1-14(2)9-10-16(23-5)15(3)11-12-27-21-20(26-8)19(25-7)18(24-6)17(28-21)13-22-4/h9,11,16-21H,10,12-13H2,1-8H3/b15-11+/t16-,17+,18+,19-,20+,21+/m0/s1 |
| InChIKey |
WTXUZWWZYYAGTE-QHZJRKITSA-N |
| Molecular Weight |
402.528 g/mol |
| SMILES |
C(OC)[C@@]1([C@@](OC)([C@](OC)([C@@](OC)([C@@](O1)(OC\C=C/(C)[C@@](OC)(CC=C(C)C)[H])[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880558 |
