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17.beta.-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]-5.alpha.-androstan-3-one
SpectraBase Compound ID 9mCjpJD0j7P
InChI InChI=1S/C26H29F7O2/c1-24-9-7-13(34)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)35-23-21(29)19(27)18(26(31,32)33)20(28)22(23)30/h12,14-17H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,24-,25-/m0/s1
InChIKey PKRWPNDRVJTTBE-KMDAFARZSA-N
Mol Weight 506.5 g/mol
Molecular Formula C26H29F7O2
Exact Mass 506.205577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25GA61sH9i1
Name 17.beta.-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]-5.alpha.-androstan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29F7O2
InChI InChI=1S/C26H29F7O2/c1-24-9-7-13(34)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)35-23-21(29)19(27)18(26(31,32)33)20(28)22(23)30/h12,14-17H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,24-,25-/m0/s1
InChIKey PKRWPNDRVJTTBE-KMDAFARZSA-N
Molecular Weight 506.505 g/mol
SMILES c1(c(c(F)c(c(c1F)F)O[C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])([H])CC1)C)[H])F)C(F)(F)F
SPLASH splash10-00di-0090000000-a06f8aa556d73f50fa04
Source of Spectrum KC-1987-1131-9
Synonyms (5alpha,17beta)-17-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]androstan-3-one
Wiley ID 1399810