SpectraBase Spectrum ID |
Hrp5UfhZmiq |
Name |
3-o-Demethyldigicitrin |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
420.105646834 u |
Formula |
C20H20O10 |
InChI |
InChI=1S/C20H20O10/c1-25-10-7-8(6-9(21)16(10)26-2)15-14(24)12(22)11-13(23)18(27-3)20(29-5)19(28-4)17(11)30-15/h6-7,21,23-24H,1-5H3 |
InChIKey |
SBECGZQEVBSJHM-UHFFFAOYSA-N |
Molecular Weight |
420.370 g/mol |
SMILES |
C=12OC(=C(C(C2=C(C(OC)=C(C1OC)OC)O)=O)O)C1=CC(=C(C(=C1)OC)OC)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942972 |