| SpectraBase Spectrum ID |
7KlyJZt7Qt3 |
| Name |
Ethyl (15R)-15-acetoxy-12,15-epoxylabd-7,12-dien-16-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.256274254 u |
| Formula |
C24H36O5 |
| InChI |
InChI=1S/C24H36O5/c1-7-27-22(26)17-13-21(28-16(3)25)29-19(17)14-18-15(2)9-10-20-23(4,5)11-8-12-24(18,20)6/h9,18,20-21H,7-8,10-14H2,1-6H3/t18-,20-,21-,24+/m0/s1 |
| InChIKey |
IULGRXWQGMVDJW-SODVOOIJSA-N |
| Molecular Weight |
404.547 g/mol |
| SMILES |
C1(=C(O[C@@](C1)(OC(=O)C)[H])C[C@@]1([C@@]2([C@@](C(C)(C)CCC2)([H])CC=C1C)C)[H])C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916013 |
