| SpectraBase Spectrum ID |
B67PRDxJDaf |
| Name |
17.beta.-Hydroxy-4-propyl-3,4-seco-5-androsten-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 |
362.282095081 u |
| Formula |
C23H38O3 |
| InChI |
InChI=1S/C23H38O3/c1-5-6-7-16-8-9-17-18-10-11-20(24)23(18,3)14-12-19(17)22(16,2)15-13-21(25)26-4/h8,17-20,24H,5-7,9-15H2,1-4H3 |
| InChIKey |
KQBUQCPUDMSAKO-UHFFFAOYSA-N |
| Molecular Weight |
362.554 g/mol |
| SMILES |
C(CC1(C(=CCC2C1CCC1(C2CCC1O)C)CCCC)C)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964834 |
