| SpectraBase Spectrum ID |
JWyQnSRzBSQ |
| Name |
7-Hydroxy-pregna-4-ene-3-one-20-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.235144887 u |
| Formula |
C22H32O3 |
| InChI |
InChI=1S/C22H32O3/c1-13(12-23)16-4-5-17-20-18(7-9-22(16,17)3)21(2)8-6-15(24)10-14(21)11-19(20)25/h10,12-13,16-20,25H,4-9,11H2,1-3H3 |
| InChIKey |
ALHATGQVHVESGQ-UHFFFAOYSA-N |
| Molecular Weight |
344.495 g/mol |
| SMILES |
C1(CCC2(C(=C1)CC(C1C2CCC2(C1CCC2C(C)C=O)C)O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87935 |
