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(1E,3R,4R,5E,7S,9S,11S)-9-((tert-Butyldimethylsilyl)oxy)-1-iodo-4,7,11-trimethylpentadeca-1,5-dien-13-yn-3-ol
SpectraBase Compound ID K6UAw9csNQB
InChI InChI=1S/C24H43IO2Si/c1-10-11-12-19(2)17-22(27-28(8,9)24(5,6)7)18-20(3)13-14-21(4)23(26)15-16-25/h13-16,19-23,26H,12,17-18H2,1-9H3/b14-13+,16-15+/t19-,20+,21+,22-,23-/m0/s1
InChIKey SEWQCZTUWKVXCA-IHYVFVQXSA-N
Mol Weight 518.6 g/mol
Molecular Formula C24H43IO2Si
Exact Mass 518.207702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZW6dyoLzND
Name (1E,3R,4R,5E,7S,9S,11S)-9-((tert-Butyldimethylsilyl)oxy)-1-iodo-4,7,11-trimethylpentadeca-1,5-dien-13-yn-3-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H43IO2Si
InChI InChI=1S/C24H43IO2Si/c1-10-11-12-19(2)17-22(27-28(8,9)24(5,6)7)18-20(3)13-14-21(4)23(26)15-16-25/h13-16,19-23,26H,12,17-18H2,1-9H3/b14-13+,16-15+/t19-,20+,21+,22-,23-/m0/s1
InChIKey SEWQCZTUWKVXCA-IHYVFVQXSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804988
Molecular Weight 518.595 g/mol
Optical Rotation [a]D20 = +34.2 (c = 0.6, CHCl3)
Reported Formula C24H43O2ISi
SMILES O[C@]([C@@](\C=C\[C@](C[C@](C[C@@](C)(CC#CC)[H])(O[Si](C(C)(C)C)(C)C)[H])(C)[H])(C)[H])(\C=C\I)[H]
SPLASH splash10-0a6r-8900000000-252e03b232c4fcb90bfc
Source of Spectrum QE-25-SM10-S11
Wiley ID 1846013