| SpectraBase Spectrum ID |
5ncB3h4q60u |
| Name |
17A-Methyl-3.beta.-acetoxy-17A-aza-D-homoandrost-5-ene-17-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.246043924 u |
| Formula |
C22H33NO3 |
| InChI |
InChI=1S/C22H33NO3/c1-14(24)26-16-9-11-21(2)15(13-16)5-6-17-18(21)10-12-22(3)19(17)7-8-20(25)23(22)4/h5,16-19H,6-13H2,1-4H3 |
| InChIKey |
DVAJRKRENBUYAF-UHFFFAOYSA-N |
| Molecular Weight |
359.510 g/mol |
| SMILES |
C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC(N2C)=O)C)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936371 |
