| SpectraBase Spectrum ID |
2M63sCx9D62 |
| Name |
.beta.-D-Glucopyranoside, 4-(3-hydroxybutyl)phenyl, 5ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.205026523 u |
| Formula |
C26H34O12 |
| InChI |
InChI=1S/C26H34O12/c1-14(33-16(3)28)7-8-20-9-11-21(12-10-20)37-26-25(36-19(6)31)24(35-18(5)30)23(34-17(4)29)22(38-26)13-32-15(2)27/h9-12,14,22-26H,7-8,13H2,1-6H3/t14?,22-,23-,24+,25-,26-/m1/s1 |
| InChIKey |
WBIIJMAMWWNBNY-BJOMHWLYSA-N |
| Molecular Weight |
538.546 g/mol |
| SMILES |
[C@@]1(OC2=CC=C(C=C2)CCC(C)OC(=O)C)([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) |
0.942101 |
