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(16E)-16-[4-(difluoromethoxy)benzylidene]-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(16E)-16-[4-(difluoromethoxy)benzylidene]-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID KSHaDGbgfi6
InChI InChI=1S/C26H26F2O3/c1-26-11-10-21-20-9-5-18(29)13-16(20)4-8-22(21)23(26)14-17(24(26)30)12-15-2-6-19(7-3-15)31-25(27)28/h2-3,5-7,9,12-13,21-23,25,29H,4,8,10-11,14H2,1H3/b17-12+
InChIKey PROGDNSPTJYDEC-SFQUDFHCSA-N
Mol Weight 424.49 g/mol
Molecular Formula C26H26F2O3
Exact Mass 424.185001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQESTlKFLG
Name (16E)-16-[4-(Difluoromethoxy)benzylidene]-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[A]phenanthren-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.185001020 u
Formula C26H26F2O3
InChI InChI=1S/C26H26F2O3/c1-26-11-10-21-20-9-5-18(29)13-16(20)4-8-22(21)23(26)14-17(24(26)30)12-15-2-6-19(7-3-15)31-25(27)28/h2-3,5-7,9,12-13,21-23,25,29H,4,8,10-11,14H2,1H3/b17-12+
InChIKey PROGDNSPTJYDEC-SFQUDFHCSA-N
Molecular Weight 424.488 g/mol
SMILES C12(C(C3CCC=4C(C3CC2)=CC=C(O)C4)C\C(C1=O)=C/C=1C=CC(OC(F)F)=CC1)C