| SpectraBase Spectrum ID |
6Yl507NAqwX |
| Name |
Dihydrocubebin, 2ac derivative |
| 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/c1-15(25)27-11-19(7-17-3-5-21-23(9-17)31-13-29-21)20(12-28-16(2)26)8-18-4-6-22-24(10-18)32-14-30-22/h3-6,9-10,19-20H,7-8,11-14H2,1-2H3/t19-,20-/m0/s1 |
| InChIKey |
GFOPJZZAXNTRGJ-PMACEKPBSA-N |
| Molecular Weight |
442.464 g/mol |
| SMILES |
C([C@@]([C@](COC(=O)C)(CC1=CC=C2OCOC2=C1)[H])(CC1=CC=C2OCOC2=C1)[H])OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818654 |
