| SpectraBase Spectrum ID |
Kb5x14aVdih |
| Name |
(5.alpha.,13.alpha.)-4,4-Dimethylandrost-7-en-16-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.245315649 u |
| Formula |
C21H32O |
| InChI |
InChI=1S/C21H32O/c1-19(2)9-5-10-21(4)16-8-11-20(3)13-14(22)12-17(20)15(16)6-7-18(19)21/h6,16-18H,5,7-13H2,1-4H3/t16-,17-,18-,20-,21+/m0/s1 |
| InChIKey |
KPNWFZBHUSJBDC-OAGDOXAWSA-N |
| SMILES |
C1=2[C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(CC[C@@]2([C@]1(CC(=O)C2)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931048 |
