| SpectraBase Spectrum ID |
5YH9s2yi9cL |
| Name |
Gastrodin, pentamethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.183503235 u |
| Formula |
C18H28O7 |
| InChI |
InChI=1S/C18H28O7/c1-19-10-12-6-8-13(9-7-12)24-18-17(23-5)16(22-4)15(21-3)14(25-18)11-20-2/h6-9,14-18H,10-11H2,1-5H3/t14-,15-,16+,17-,18-/m1/s1 |
| InChIKey |
PILOUHGMNNUNRZ-UYTYNIKBSA-N |
| Molecular Weight |
356.415 g/mol |
| SMILES |
[C@@]1(OC2=CC=C(C=C2)COC)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955999 |
