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17-oxo-3,5-androstadien-3-yl heptafluorobutyrate
SpectraBase Compound ID 6khBy2QC9bP
InChI InChI=1S/C23H25F7O3/c1-19-9-7-13(33-18(32)21(24,25)22(26,27)23(28,29)30)11-12(19)3-4-14-15-5-6-17(31)20(15,2)10-8-16(14)19/h3,11,14-16H,4-10H2,1-2H3/t14?,15?,16?,19-,20-/m0/s1
InChIKey ZVALUAVQFFVNCZ-YOWJUQOHSA-N
Mol Weight 482.44 g/mol
Molecular Formula C23H25F7O3
Exact Mass 482.169192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLB78ag8hgj
Name 17-oxo-3,5-androstadien-3-yl heptafluorobutyrate
Alternate Name(s) (10R,13S)-10,13-dimethyl-17-oxo-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25F7O3
InChI InChI=1S/C23H25F7O3/c1-19-9-7-13(33-18(32)21(24,25)22(26,27)23(28,29)30)11-12(19)3-4-14-15-5-6-17(31)20(15,2)10-8-16(14)19/h3,11,14-16H,4-10H2,1-2H3/t14?,15?,16?,19-,20-/m0/s1
InChIKey ZVALUAVQFFVNCZ-YOWJUQOHSA-N
Molecular Weight 482.439 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(=O)OC=1CC[C@@]2(C3CC[C@@]4(C(CCC4C3CC=C2C1)=O)C)C
SPLASH splash10-001i-2100900000-f305b9a95ea98e2bdf91
Source of Spectrum JX-2015-6-13525
Wiley ID 1731479