| SpectraBase Spectrum ID |
EAJENk23UzI |
| Name |
Etiocholan-3.alpha.-ol-17-one, hexanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.297745145 u |
| Formula |
C25H40O3 |
| InChI |
InChI=1S/C25H40O3/c1-4-5-6-7-23(27)28-18-12-14-24(2)17(16-18)8-9-19-20-10-11-22(26)25(20,3)15-13-21(19)24/h17-21H,4-16H2,1-3H3 |
| InChIKey |
SMYVCRCXPSLNDH-UHFFFAOYSA-N |
| Molecular Weight |
388.592 g/mol |
| SMILES |
CC12C(C3C(CC2)C2(C(CC3)CC(CC2)OC(CCCCC)=O)C)CCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923156 |
