| SpectraBase Spectrum ID |
A3QfegcBwQB |
| Name |
17.beta.-Acetoxy-3-ethyl-3-oxo-2,3-seco-5.alpha.-androstan-2-oic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.271924319 u |
| Formula |
C24H38O5 |
| InChI |
InChI=1S/C24H38O5/c1-6-17(26)13-16-7-8-18-19-9-10-21(29-15(2)25)23(19,3)12-11-20(18)24(16,4)14-22(27)28-5/h16,18-21H,6-14H2,1-5H3 |
| InChIKey |
BXFFTKGQTMOPPG-UHFFFAOYSA-N |
| Molecular Weight |
406.563 g/mol |
| SMILES |
C(CC1CCC2C(C1(CC(OC)=O)C)CCC1(C2CCC1OC(C)=O)C)(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858335 |
