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(8R,9S,13S,14S,17S)-13-methyl-2-(2,2,2-trifluoroethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 1 MS (GC)

(8R,9S,13S,14S,17S)-13-methyl-2-(2,2,2-trifluoroethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID AtS1PamHGN1
InChI InChI=1S/C20H25F3O3/c1-19-7-6-12-13(15(19)4-5-18(19)25)3-2-11-8-16(24)17(9-14(11)12)26-10-20(21,22)23/h8-9,12-13,15,18,24-25H,2-7,10H2,1H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey SEJLRFOCUWYOPK-SSTWWWIQSA-N
Mol Weight 370.41 g/mol
Molecular Formula C20H25F3O3
Exact Mass 370.175579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvZaqXmjDqJ
Name (8R,9S,13S,14S,17S)-13-methyl-2-(2,2,2-trifluoroethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Alternate Name(s) (8R,9S,13S,14S,17S)-13-methyl-2-[2,2,2-tris(fluoranyl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Formula C20H25F3O3
InChI InChI=1S/C20H25F3O3/c1-19-7-6-12-13(15(19)4-5-18(19)25)3-2-11-8-16(24)17(9-14(11)12)26-10-20(21,22)23/h8-9,12-13,15,18,24-25H,2-7,10H2,1H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey SEJLRFOCUWYOPK-SSTWWWIQSA-N
Molecular Weight 370.412 g/mol
SMILES Oc1c(cc2c(CC[C@]3([C@]4([C@@]([C@](CC4)(O)[H])(CC[C@]23[H])C)[H])[H])c1)OCC(F)(F)F
SPLASH splash10-00di-0019000000-3678b15ef4b0b987adef
Source of Spectrum E1-40-2330-14
Wiley ID 1599306