| SpectraBase Spectrum ID |
2CfvrXUrhyE |
| Name |
17-oxa-5.alpha.,13.alpha.-Androstan-16-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.208930140 u |
| Formula |
C18H28O2 |
| InChI |
InChI=1S/C18H28O2/c1-17-9-4-3-5-12(17)6-7-13-14(17)8-10-18(2)15(13)11-16(19)20-18/h12-15H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-/m1/s1 |
| InChIKey |
OOGFPQSMIRIYKL-NREAYSRSSA-N |
| Molecular Weight |
276.420 g/mol |
| SMILES |
[C@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC(O1)=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979071 |
