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

*Links on SpectraBase are not permalinks.

(5E,7E)-(1S,3R,20S)-1,1-Bis[(1,3-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-26,27-cyclo-9,10-secocholesta-5,7,10(19)-trien-24-one

View entire compound with spectra: 1 MS (GC)

(5E,7E)-(1S,3R,20S)-1,1-Bis[(1,3-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-26,27-cyclo-9,10-secocholesta-5,7,10(19)-trien-24-one
SpectraBase Compound ID 2vTflHpUwRL
InChI InChI=1S/C39H67FO3Si2/c1-27-30(25-31(42-44(10,11)36(2,3)4)26-34(27)43-45(12,13)37(5,6)7)19-16-28-15-14-23-38(8)32(28)20-21-35(38)39(9,40)24-22-33(41)29-17-18-29/h16,19,29,31-32,34-35H,1,14-15,17-18,20-26H2,2-13H3/b28-16+,30-19+/t31-,32+,34+,35+,38+,39-/m1/s1
InChIKey VHYLYFAWUNZOKG-XMGXZHPCSA-N
Mol Weight 659.1 g/mol
Molecular Formula C39H67FO3Si2
Exact Mass 658.461277 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 8jX0dg4TrkE
Name (5E,7E)-(1S,3R,20S)-1,1-Bis[(1,3-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-26,27-cyclo-9,10-secocholesta-5,7,10(19)-trien-24-one
Alternate Name(s) (1S,3R,5E,7E,20R)-1,3-bis{[tert-butyl(dimethyl)silyl]oxy}-24-cyclopropyl-20-fluoro-9,10-secochola-5,7,10-trien-24-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H67FO3Si2
InChI InChI=1S/C39H67FO3Si2/c1-27-30(25-31(42-44(10,11)36(2,3)4)26-34(27)43-45(12,13)37(5,6)7)19-16-28-15-14-23-38(8)32(28)20-21-35(38)39(9,40)24-22-33(41)29-17-18-29/h16,19,29,31-32,34-35H,1,14-15,17-18,20-26H2,2-13H3/b28-16+,30-19+/t31-,32+,34+,35+,38+,39-/m1/s1
InChIKey VHYLYFAWUNZOKG-XMGXZHPCSA-N
Molecular Weight 659.130 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@@](CCC(C1CC1)=O)(F)C)[H])[H])C
SPLASH splash10-0002-0090032000-443114a4da350f1109fa
Source of Spectrum F-51-9548-16
Wiley ID 793226