| SpectraBase Spectrum ID |
L8L1VZKUIwW |
| Name |
17.beta.-Hydroxy-5-oxo-6.alpha.-pentyl-4-nor-3,5-secoandrostan-3-oic acidmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.292659764 u |
| Formula |
C24H40O4 |
| InChI |
InChI=1S/C24H40O4/c1-5-6-7-8-16-15-17-18-9-10-20(25)23(18,2)13-11-19(17)24(3,22(16)27)14-12-21(26)28-4/h16-20,25H,5-15H2,1-4H3 |
| InChIKey |
NQTLCHIWCUILIA-UHFFFAOYSA-N |
| Molecular Weight |
392.580 g/mol |
| SMILES |
C(CC1(C(C(CC2C1CCC1(C2CCC1O)C)CCCCC)=O)C)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909092 |
