| SpectraBase Spectrum ID |
Dvlfomr2751 |
| Name |
Homovanillyl alcohol 4-o-.beta.-D-glucopyranoside, pentacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
540.184291077 u |
| Formula |
C25H32O13 |
| InChI |
InChI=1S/C25H32O13/c1-13(26)32-10-9-18-7-8-19(20(11-18)31-6)37-25-24(36-17(5)30)23(35-16(4)29)22(34-15(3)28)21(38-25)12-33-14(2)27/h7-8,11,21-25H,9-10,12H2,1-6H3/t21-,22-,23+,24-,25-/m1/s1 |
| InChIKey |
UVEAIRJIJDRYCN-NHTNDUFYSA-N |
| Molecular Weight |
540.518 g/mol |
| SMILES |
C(CC1=CC(OC)=C(C=C1)O[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H])OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969091 |
