| SpectraBase Spectrum ID |
CHC3zpLwZgG |
| Name |
17.beta.-Acetoxy-4-oxo-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 |
418.271924319 u |
| Formula |
C25H38O5 |
| InChI |
InChI=1S/C25H38O5/c1-6-7-21(27)20-9-8-17-18-10-11-22(30-16(2)26)25(18,4)14-12-19(17)24(20,3)15-13-23(28)29-5/h9,17-19,22H,6-8,10-15H2,1-5H3 |
| InChIKey |
JDARZHPXTLFTKJ-UHFFFAOYSA-N |
| Molecular Weight |
418.574 g/mol |
| SMILES |
C(CCC1(C(C(CCC)=O)=CCC2C1CCC1(C2CCC1OC(C)=O)C)C)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969633 |
