| SpectraBase Spectrum ID |
JzsDUbTY68V |
| Name |
17-oxo-6.alpha.-Pentyl-4-nor-3,5-secoandrostan-3-oic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.282095081 u |
| Formula |
C23H38O3 |
| InChI |
InChI=1S/C23H38O3/c1-4-5-6-7-16-14-17-18(22(2,15-16)12-11-21(25)26)10-13-23(3)19(17)8-9-20(23)24/h16-19H,4-15H2,1-3H3,(H,25,26) |
| InChIKey |
CMNRTJCMOWWHGQ-UHFFFAOYSA-N |
| Molecular Weight |
362.554 g/mol |
| SMILES |
C(CCC1(CC(CC2C1CCC1(C2CCC1=O)C)CCCCC)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824296 |
