| SpectraBase Spectrum ID |
La3cEaZYdDH |
| Name |
Drummondin-C |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.162767789 u |
| Formula |
C24H26O8 |
| InChI |
InChI=1S/C24H26O8/c1-10(25)15-18(28)13(17(27)12-7-8-23(3,4)32-20(12)15)9-14-19(29)16(11(2)26)22(31)24(5,6)21(14)30/h7-8,27-28,30-31H,9H2,1-6H3 |
| InChIKey |
CBIZWUUGEINUSE-UHFFFAOYSA-N |
| Molecular Weight |
442.464 g/mol |
| SMILES |
C(=O)(C)C1=C2OC(C)(C)C=CC2=C(O)C(=C1O)CC=1C(=O)C(=C(C(C1O)(C)C)O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952333 |
