| SpectraBase Spectrum ID |
K7nkbWjgaUi |
| Name |
2,16.alpha.-Difluoro-3-hydroxyestra-1,3,5(10)-trien-17-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.143136208 u |
| Formula |
C18H20F2O2 |
| InChI |
InChI=1S/C18H20F2O2/c1-18-5-4-10-11(13(18)8-15(20)17(18)22)3-2-9-6-16(21)14(19)7-12(9)10/h6-7,10-11,13,15,21H,2-5,8H2,1H3/t10-,11+,13-,15+,18-/m0/s1 |
| InChIKey |
BLFUQBYXEKYEGG-QARZAVKVSA-N |
| Molecular Weight |
306.353 g/mol |
| SMILES |
C=1(C(=CC2=C(C1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)CC[C@]21[H])=O)(F)[H])[H])[H])F)O |
