| SpectraBase Spectrum ID |
8Eza0SaCu6E |
| Name |
(7E,11E)-18-Acetoxy-3,4:11,12-diepoxy-7,11,15(17)-cembratrien-16,14-olide-13-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.183503235 u |
| Formula |
C22H28O7 |
| InChI |
InChI=1S/C22H28O7/c1-12-6-5-9-22(11-26-14(3)23)17(29-22)10-15-13(2)20(25)27-18(15)19(24)21(4)16(28-21)8-7-12/h6,15-18H,2,5,7-11H2,1,3-4H3/b12-6- |
| InChIKey |
PTWPSIGAGIPIFZ-SDQBBNPISA-N |
| Molecular Weight |
404.459 g/mol |
| SMILES |
C12(OC2CC\C(=C/CCC2(C(O2)CC2C(C1=O)OC(=O)C2=C)COC(=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852321 |
