For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(5E,7E)-(1S,3R,20-.xi.)-1,3-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-20-methyl-9,10-secopregna-5,7,10(19)-trien-21-al

View entire compound with spectra: 1 MS (GC)

(5E,7E)-(1S,3R,20-.xi.)-1,3-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-20-methyl-9,10-secopregna-5,7,10(19)-trien-21-al
SpectraBase Compound ID HzOSE6Rb0M3
InChI InChI=1S/C34H59FO3Si2/c1-24-26(17-16-25-15-14-20-33(8)28(25)18-19-30(33)34(9,35)23-36)21-27(37-39(10,11)31(2,3)4)22-29(24)38-40(12,13)32(5,6)7/h16-17,23,27-30H,1,14-15,18-22H2,2-13H3/b25-16+,26-17+/t27-,28+,29+,30+,33+,34-/m1/s1
InChIKey VDQHRGXELIEFII-DLDPMLDYSA-N
Mol Weight 591.0 g/mol
Molecular Formula C34H59FO3Si2
Exact Mass 590.398677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9MO3sOzngev
Name (5E,7E)-(1S,3R,20-.xi.)-1,3-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-20-methyl-9,10-secopregna-5,7,10(19)-trien-21-al
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H59FO3Si2
InChI InChI=1S/C34H59FO3Si2/c1-24-26(17-16-25-15-14-20-33(8)28(25)18-19-30(33)34(9,35)23-36)21-27(37-39(10,11)31(2,3)4)22-29(24)38-40(12,13)32(5,6)7/h16-17,23,27-30H,1,14-15,18-22H2,2-13H3/b25-16+,26-17+/t27-,28+,29+,30+,33+,34-/m1/s1
InChIKey VDQHRGXELIEFII-DLDPMLDYSA-N
Molecular Weight 591.011 g/mol
SMILES [C@]12([C@](\C(=C\C=C\3C([C@@](O[Si](C(C)(C)C)(C)C)(C[C@@](C3)(O[Si](C(C)(C)C)(C)C)[H])[H])=C)CCC1)(CC[C@@]2([C@@](C=O)(F)C)[H])[H])C
SPLASH splash10-052b-0090430000-bcafdaf16e93b857f291
Source of Spectrum F-51-9548-13
Synonyms (2S)-2-[(4E,7aS)-4-{2-[(1E,3S,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-fluoropropanal
Wiley ID 793233