25256-97-7
(6A,11B,16A)-6,9-DIFLUORO-11-HYDROXY-16-METHYLANDROSTA-1,4-DIENE-3,17-DIONE
Name(6A,11B,16A)-6,9-DIFLUORO-11-HYDROXY-16-METHYLANDROSTA-1,4-DIENE-3,17-DIONE
1Identification
【Name】
(6A,11B,16A)-6,9-DIFLUORO-11-HYDROXY-16-METHYLANDROSTA-1,4-DIENE-3,17-DIONE
【CAS】
【MDL】
MFCD13194831
【English Synonyms】
【Formula】
C20 H24 F2 O3
【MolWeight】
350.403
【Inchi】
InChI=1S/C20H24F2O3/c1-10-6-12-13-8-15(21)14-7-11(23)4-5-19(14,3)20(13,22)16(24)9-18(12,2)17(10)25/h4-5,7,10,12-13,15-16,24H,6,8-9H2,1-3H3/t10-,12+,13+,15+,16+,18+,19+,20+/m1/s1
【InChIKey】
InChIKey=UMKWAIKMRBAVPM-JRXMGOECSA-N
【SMILES】
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(C1=O)C)O)F)C)F
【MOL File】
(6A,11B,16A)-6,9-DIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(6A,11B,16A)-6,9-DIFLUORO-11-HYDROXY-16-METHYLANDROSTA-1,4-DIENE-3,17-DIONE.cml