| SpectraBase Spectrum ID |
GHkmCCVmN7H |
| Name |
Androst-5-ene-17.beta.,19-diol, 3.alpha.-fluoro-, diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.236287702 u |
| Formula |
C23H33FO4 |
| InChI |
InChI=1S/C23H33FO4/c1-14(25)27-13-23-11-8-17(24)12-16(23)4-5-18-19-6-7-21(28-15(2)26)22(19,3)10-9-20(18)23/h4,17-21H,5-13H2,1-3H3/t17?,18?,19?,20?,21?,22-,23+/m0/s1 |
| InChIKey |
APULYUDGOPNSPM-JVHGXTCESA-N |
| Molecular Weight |
392.511 g/mol |
| SMILES |
[C@]12(C(=CCC3C4CCC([C@]4(CCC23)C)OC(=O)C)CC(CC1)F)COC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86556 |
