| SpectraBase Spectrum ID |
LlJSiZLYFDg |
| Name |
des-D-3-Acetoxy-14-(3-chloroprop-2-yn-1-yl)-17-cyanoandrost-5-ene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.180856844 u |
| Formula |
C22H28ClNO2 |
| InChI |
InChI=1S/C22H28ClNO2/c1-15(25)26-17-8-11-22(3)16(13-17)6-7-18-19(5-4-12-23)21(2,14-24)10-9-20(18)22/h6,17-20H,5,7-11,13H2,1-3H3 |
| InChIKey |
NPADDSDHFCJOOE-UHFFFAOYSA-N |
| Molecular Weight |
373.924 g/mol |
| SMILES |
C12(C(=CCC3C2CCC(C#N)(C)C3CC#CCl)CC(OC(=O)C)CC1)C |
