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3-Oxo-17-.beta.-acetyloxy-10.beta.-fluoroestra-1,4-diene
SpectraBase Compound ID 2MeRznvEqWV
InChI InChI=1S/C21H27FO3/c1-3-19(24)25-18-7-6-16-15-5-4-13-12-14(23)8-11-21(13,22)17(15)9-10-20(16,18)2/h8,11-12,15-18H,3-7,9-10H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKey FDYWCFRFJVXVFC-JPRZGNOKSA-N
Mol Weight 346.44 g/mol
Molecular Formula C21H27FO3
Exact Mass 346.194423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HC8LtC1W5nW
Name 3-Oxo-17-.beta.-acetyloxy-10.beta.-fluoroestra-1,4-diene
Alternate Name(s) Propionic acid (8S,9S,10S,13S,14S,17S)-10-fluoro-13-methyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester
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Formula C21H27FO3
InChI InChI=1S/C21H27FO3/c1-3-19(24)25-18-7-6-16-15-5-4-13-12-14(23)8-11-21(13,22)17(15)9-10-20(16,18)2/h8,11-12,15-18H,3-7,9-10H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKey FDYWCFRFJVXVFC-JPRZGNOKSA-N
Molecular Weight 346.442 g/mol
SMILES [C@@]12(C(=CC(C=C2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(OC(=O)CC)[H])[H])[H])F
SPLASH splash10-057j-4955000000-4b54c04dac5d9a7149dd
Source of Spectrum O-29-37-3
Wiley ID 1339440