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

View entire compound with spectra: 1 MS (GC)

(5Z,7E)-(1S,3R,20S,24.xi.)-1,1-Bis[(1,3-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-26,27-cyclo-9,10-secocholesta-5,7,10(19)-trien-24-ol
SpectraBase Compound ID JFePpfSyAoi
InChI InChI=1S/C39H69FO3Si2/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/h16,19,29,31-35,41H,1,14-15,17-18,20-26H2,2-13H3/b28-16+,30-19-/t31-,32+,33?,34+,35+,38+,39-/m1/s1
InChIKey FHCMVBRWPDWXJU-NFKKPOEVSA-N
Mol Weight 661.1 g/mol
Molecular Formula C39H69FO3Si2
Exact Mass 660.476927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Baq9Cesak8T
Name (5Z,7E)-(1S,3R,20S,24.xi.)-1,1-Bis[(1,3-dimethylethyl)dimethylsilyl]oxy]-20-fluoro-26,27-cyclo-9,10-secocholesta-5,7,10(19)-trien-24-ol
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Formula C39H69FO3Si2
InChI InChI=1S/C39H69FO3Si2/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/h16,19,29,31-35,41H,1,14-15,17-18,20-26H2,2-13H3/b28-16+,30-19-/t31-,32+,33?,34+,35+,38+,39-/m1/s1
InChIKey FHCMVBRWPDWXJU-NFKKPOEVSA-N
Molecular Weight 661.146 g/mol
SMILES OC(C1CC1)CC[C@]([C@@]1([C@@]2([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)CCC2)(CC1)[H])C)[H])(F)C
SPLASH splash10-0002-0090042000-906a793eb8095c4fbe1f
Source of Spectrum F-51-9550-18
Synonyms (1S,3R,5Z,7E,20R)-1,3-bis{[tert-butyl(dimethyl)silyl]oxy}-24-cyclopropyl-20-fluoro-9,10-secochola-5,7,10-trien-24-ol
Wiley ID 793224