| SpectraBase Spectrum ID |
6UndZTVH2XY |
| Name |
17-Epitestosterone, trimethylacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.266445016 u |
| Formula |
C24H36O3 |
| InChI |
InChI=1S/C24H36O3/c1-22(2,3)21(26)27-20-9-8-18-17-7-6-15-14-16(25)10-12-23(15,4)19(17)11-13-24(18,20)5/h14,17-20H,6-13H2,1-5H3/t17-,18-,19-,20+,23-,24-/m0/s1 |
| InChIKey |
KWPDLKDMQCWWIT-ZEQQQVMLSA-N |
| Molecular Weight |
372.549 g/mol |
| SMILES |
[C@]12([C@]([C@]3([C@@]([C@@]4(C(=CC(CC4)=O)CC3)C)(CC1)[H])[H])(CC[C@]2(OC(C(C)(C)C)=O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943118 |
