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Amb2505483

Duplicate ID
Molecule Name 10,13-Dimethyl-16-[1-(4-trifluoromethyl-phenyl)-meth-(E)-ylidene]-hexadecahydro-cyclopenta[a]phenanthrene-3,17-diol
SmilesOC1CCC2(C(C1)CCC1C2CCC2(C1C/C(=C\c1ccc(cc1)C(F)(F)F)/C2O)C)C
InchiKeyQUYCEUJYTAJEMW-GHRIWEEISA-N
InChi InChI=1S/C27H35F3O2/c1-25-11-9-20(31)15-19(25)7-8-21-22(25)10-12-26(2)23(21)14-17(24(26)32)13-16-3-5-18(6-4-16)27(28,29)30/h3-6,13,19-24,31-32H,7-12,14-15H2,1-2H3/b17-13+
Formula C27H35F3O2
Molecular weight 448.561
Rings 5
logP 6.4632
PSA 40.46
MR 121.409
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