| SpectraBase Spectrum ID |
B2LEeMPaLjM |
| Name |
2,16.alpha.-Difluoro-3-hydroxyestra-1,3,5(10)-trien-17-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
Oc1c(cc2c(c1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)CC[C@]21[H])=O)(F)[H])[H])[H])F |
| SPLASH |
splash10-0a59-0349000000-c7685734b06d30f0ee53 |
| Source of Spectrum |
K-2002-660-5 |
| Synonyms |
(16alpha)-2,16-difluoro-3-hydroxyestra-1,3,5(10)-trien-17-one
(8R,9S,13S,14S,16R)-2,16-bis(fluoranyl)-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Wiley ID |
1580981 |
