| SpectraBase Spectrum ID |
7GsWWc1b3SP |
| Name |
17.beta.-Hydroxy-6.alpha.-pentyl-4-nor-3,5-secoandrostan-3-oic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.313395209 u |
| Formula |
C24H42O3 |
| InChI |
InChI=1S/C24H42O3/c1-5-6-7-8-17-9-10-18-19-11-12-21(25)24(19,3)15-13-20(18)23(17,2)16-14-22(26)27-4/h17-21,25H,5-16H2,1-4H3 |
| InChIKey |
ZJTQJCCXMOSWBZ-UHFFFAOYSA-N |
| Molecular Weight |
378.597 g/mol |
| SMILES |
C(CCC1(C(CCCCC)CCC2C1CCC1(C2CCC1O)C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973124 |
