| SpectraBase Spectrum ID |
6EdtOasz89g |
| Name |
(1S*,2R*,3S*,3ar*,7as*)-5,5-(Ethylenedioxy)-2,3-epoxy-1-hydroxy-3A,7,7-trimethyl-3-phenyl-1,3A,4,6,7,7A-hexahydroinden-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.183109313 u |
| Formula |
C20H26O4 |
| InChI |
InChI=1S/C20H26O4/c1-17(2)11-19(22-9-10-23-19)12-18(3)15(17)14(21)16-20(18,24-16)13-7-5-4-6-8-13/h4-8,14-16,21H,9-12H2,1-3H3/t14-,15+,16-,18-,20-/m1/s1 |
| InChIKey |
ZBEOAHHWMLUCPR-LLJHKCNDSA-N |
| Molecular Weight |
330.424 g/mol |
| SMILES |
[C@@]12([C@@]([C@](O)([C@@]3([C@]2(CC2(CC3(C)C)OCCO2)C)[H])[H])(O1)[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919978 |
