| SpectraBase Spectrum ID |
51rJWAJBW5z |
| Name |
3,14-Dimethyl-4-A-nor-13.alpha.,14.beta.,17.alpha.-pregna-3,8-dien-20-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.260965714 u |
| Formula |
C22H34O |
| InChI |
InChI=1S/C22H34O/c1-14-8-11-20(3)16(14)6-7-19-18(20)10-13-21(4)17(15(2)23)9-12-22(19,21)5/h15,17,23H,6-13H2,1-5H3/t15?,17-,20-,21-,22+/m0/s1 |
| InChIKey |
XAEJSTZEJDVKJM-HYTSZZEVSA-N |
| Molecular Weight |
314.513 g/mol |
| SMILES |
[C@@]12(C3=C([C@]4(CCC(=C4CC3)C)C)CC[C@]2([C@](C(O)C)(CC1)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938236 |
