| SpectraBase Spectrum ID |
DfDEXepA4SU |
| Name |
3-Methoxy-4-hydroxyphenol 1-o-.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 |
512.152990949 u |
| Formula |
C23H28O13 |
| InChI |
InChI=1S/C23H28O13/c1-11(24)30-10-19-20(32-13(3)26)21(33-14(4)27)22(34-15(5)28)23(36-19)35-16-7-8-17(31-12(2)25)18(9-16)29-6/h7-9,19-23H,10H2,1-6H3/t19-,20-,21+,22-,23-/m1/s1 |
| InChIKey |
QSMNNUMDXHGQQT-XNBWIAOKSA-N |
| Molecular Weight |
512.464 g/mol |
| SMILES |
[C@@]1(OC2=CC(=C(C=C2)OC(=O)C)OC)([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966051 |
