| SpectraBase Spectrum ID |
EYsF0oQijxP |
| Name |
5-(Hydroxymethyl)-2-(1-methylethyl)phenyl .beta.-D-glucopyranoside, 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/c1-13(2)20-9-8-19(11-32-14(3)27)10-21(20)37-26-25(36-18(7)31)24(35-17(6)30)23(34-16(5)29)22(38-26)12-33-15(4)28/h8-10,13,22-26H,11-12H2,1-7H3/t22-,23-,24+,25-,26-/m1/s1 |
| InChIKey |
HCBNHUVYRKWIKA-WSGIOKLISA-N |
| Molecular Weight |
538.546 g/mol |
| SMILES |
C1=C(C(=CC=C1COC(C)=O)C(C)C)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94607 |
