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4-FLUORO-ESTR-4-ENE-17.BETA.-OL-3-ONE-3-(O-METHYLOXIME)
SpectraBase Compound ID 4rue0NnI5hT
InChI InChI=1S/C19H28FNO2/c1-19-10-9-12-11-5-7-16(21-23-2)18(20)14(11)4-3-13(12)15(19)6-8-17(19)22/h11-13,15,17,22H,3-10H2,1-2H3/b21-16+/t11-,12-,13-,15+,17+,19+/m1/s1
InChIKey WLIHLKBEWLGWCI-DMEOOYNESA-N
Mol Weight 321.44 g/mol
Molecular Formula C19H28FNO2
Exact Mass 321.210407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BARx96Dr5m0
Name 4-FLUORO-ESTR-4-ENE-17.BETA.-OL-3-ONE-3-(O-METHYLOXIME)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 321.210407307 u
Formula C19H28FNO2
InChI InChI=1S/C19H28FNO2/c1-19-10-9-12-11-5-7-16(21-23-2)18(20)14(11)4-3-13(12)15(19)6-8-17(19)22/h11-13,15,17,22H,3-10H2,1-2H3/b21-16+/t11-,12-,13-,15+,17+,19+/m1/s1
InChIKey WLIHLKBEWLGWCI-DMEOOYNESA-N
Molecular Weight 321.436 g/mol
Nominal Mass 321 u
Number of Peaks 151
SMILES O[C@]1(CC[C@]2([C@@]3(CCC4=C(\C(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=N\OC)F)[H])[H])[H]
SPLASH splash10-05fr-3924000000-25b5a62fb2bfe3520eae
Source File Reference LMCM-40263-043F
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 4-FLUORO-17-HYDROXYESTR-4-EN-3-ONE O-METHYLOXIME (1S,3aS,3bR,9aR,9bS,11aS,E)-4-fluoro-17-hydroxy-13-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one O-methyl oxime
Wiley ID 4_1393