| SpectraBase Spectrum ID |
FwQX5r1i27U |
| Name |
5-Dehydro-epi-androsterone cyclohexylbutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.329045274 u |
| Formula |
C29H44O3 |
| InChI |
InChI=1S/C29H44O3/c1-28-17-15-22(32-27(31)10-6-9-20-7-4-3-5-8-20)19-21(28)11-12-23-24-13-14-26(30)29(24,2)18-16-25(23)28/h11,20,22-25H,3-10,12-19H2,1-2H3 |
| InChIKey |
RPDWFWCATNZZFA-UHFFFAOYSA-N |
| Molecular Weight |
440.668 g/mol |
| SMILES |
C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC2=O)C)C)OC(=O)CCCC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943867 |
