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(5E,7E,22E)-(1S,3R,20R)-1,3-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-26,27-cyclo-9,10-secocholesta-5,7,10(19),22-tetraen-24-one
SpectraBase Compound ID 2nzQQ6jW1Ep
InChI InChI=1S/C39H65FO3Si2/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/h16,19,22,24,29,31-32,34-35H,1,14-15,17-18,20-21,23,25-26H2,2-13H3/b24-22+,28-16+,30-19+/t31-,32+,34+,35+,38+,39-/m1/s1
InChIKey IWKUSVTXVYUYQM-FEMXCPLXSA-N
Mol Weight 657.1 g/mol
Molecular Formula C39H65FO3Si2
Exact Mass 656.445627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NfdgihaYRS
Name (5E,7E,22E)-(1S,3R,20R)-1,3-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-26,27-cyclo-9,10-secocholesta-5,7,10(19),22-tetraen-24-one
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Formula C39H65FO3Si2
InChI InChI=1S/C39H65FO3Si2/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/h16,19,22,24,29,31-32,34-35H,1,14-15,17-18,20-21,23,25-26H2,2-13H3/b24-22+,28-16+,30-19+/t31-,32+,34+,35+,38+,39-/m1/s1
InChIKey IWKUSVTXVYUYQM-FEMXCPLXSA-N
Molecular Weight 657.114 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=C\C(C1CC1)=O)(F)C)[H])[H])C
SPLASH splash10-004i-9204031000-9f40c7d12f889f971f90
Source of Spectrum F-51-9548-14
Synonyms (1S,3R,5E,7E,20R,22E)-1,3-bis{[tert-butyl(dimethyl)silyl]oxy}-24-cyclopropyl-20-fluoro-9,10-secochola-5,7,10,22-tetraen-24-one
Wiley ID 793232