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20-oxo-3,5-pregnadien-3-yl heptafluorobutyrate
SpectraBase Compound ID Ef8mGkru1XI
InChI InChI=1S/C25H29F7O3/c1-13(33)17-6-7-18-16-5-4-14-12-15(8-10-21(14,2)19(16)9-11-22(17,18)3)35-20(34)23(26,27)24(28,29)25(30,31)32/h4,12,16-19H,5-11H2,1-3H3/t16?,17-,18?,19?,21+,22-/m1/s1
InChIKey PMYGGDFCIVGWIF-WGTZJNLHSA-N
Mol Weight 510.49 g/mol
Molecular Formula C25H29F7O3
Exact Mass 510.200492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJ5ExbA4zuO
Name 20-oxo-3,5-pregnadien-3-yl heptafluorobutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29F7O3
InChI InChI=1S/C25H29F7O3/c1-13(33)17-6-7-18-16-5-4-14-12-15(8-10-21(14,2)19(16)9-11-22(17,18)3)35-20(34)23(26,27)24(28,29)25(30,31)32/h4,12,16-19H,5-11H2,1-3H3/t16?,17-,18?,19?,21+,22-/m1/s1
InChIKey PMYGGDFCIVGWIF-WGTZJNLHSA-N
Molecular Weight 510.493 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)(C(C)=O)[H])C)C
SPLASH splash10-03di-3400090000-775273c213a36f31f8fd
Source of Spectrum JX-2015-6-13550
Synonyms (10R,13S,17S)-17-acetyl-10,13-dimethyl-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
Wiley ID 1731481