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3,17-bis(heptafluorobutyryloxy)-androst-2,4-diene

View entire compound with spectra: 1 MS (GC)

3,17-bis(heptafluorobutyryloxy)-androst-2,4-diene
SpectraBase Compound ID 6ycHrQsrWWl
InChI InChI=1S/C27H26F14O4/c1-20-9-7-13(44-18(42)22(28,29)24(32,33)26(36,37)38)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)45-19(43)23(30,31)25(34,35)27(39,40)41/h7,11,14-17H,3-6,8-10H2,1-2H3/t14-,15-,16-,17?,20-,21-/m0/s1
InChIKey STYHDLOIJHHUKV-HYGUSNFJSA-N
Mol Weight 680.48 g/mol
Molecular Formula C27H26F14O4
Exact Mass 680.160754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B08t2BK6aqe
Name 3,17-bis(heptafluorobutyryloxy)-androst-2,4-diene
Alternate Name(s) 17-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]androsta-2,4-dien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26F14O4
InChI InChI=1S/C27H26F14O4/c1-20-9-7-13(44-18(42)22(28,29)24(32,33)26(36,37)38)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)45-19(43)23(30,31)25(34,35)27(39,40)41/h7,11,14-17H,3-6,8-10H2,1-2H3/t14-,15-,16-,17?,20-,21-/m0/s1
InChIKey STYHDLOIJHHUKV-HYGUSNFJSA-N
Molecular Weight 680.479 g/mol
SMILES C(C(C(OC1[C@@]2([C@@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CC=C(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C4)C)[H])([H])CC1)C)=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-0uyj-0905105000-6f5f4300347105cda830
Source of Spectrum JC-565-38-0
Wiley ID 1414319