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(8R,9S,13S,14S)-3-((6,6-dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl)oxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 5OGJK6ulAai
InChI InChI=1S/C26H30Cl2F6O2/c1-23-11-10-19-18-7-5-17(13-15(18)4-6-20(19)21(23)8-9-22(23)35)36-12-2-3-16(25(29,30)31)14-24(27,28)26(32,33)34/h5,7,13,16,19-21H,2-4,6,8-12,14H2,1H3/t16?,19-,20-,21+,23+/m1/s1
InChIKey SWIABMAKQPJHCZ-FINBKCRCSA-N
Mol Weight 559.42 g/mol
Molecular Formula C26H30Cl2F6O2
Exact Mass 558.152705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IViyQ7OgUo9
Name (8R,9S,13S,14S)-3-((6,6-dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl)oxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30Cl2F6O2
InChI InChI=1S/C26H30Cl2F6O2/c1-23-11-10-19-18-7-5-17(13-15(18)4-6-20(19)21(23)8-9-22(23)35)36-12-2-3-16(25(29,30)31)14-24(27,28)26(32,33)34/h5,7,13,16,19-21H,2-4,6,8-12,14H2,1H3/t16?,19-,20-,21+,23+/m1/s1
InChIKey SWIABMAKQPJHCZ-FINBKCRCSA-N
Literature Reference DOI 10.1002/cjoc.201900075
Molecular Weight 559.420 g/mol
SMILES c1cc2c(cc1OCCCC(CC(C(F)(F)F)(Cl)Cl)C(F)(F)F)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H]
SPLASH splash10-0a4i-1610190000-0bcab911eddd421b48ed
Source of Spectrum CJC-37-SM34-5v
Wiley ID 1819519