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Trichotheca-9,12-dien-4-ol, 15-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (4.beta.)-(.+-.)-
SpectraBase Compound ID BrCFh4MwGmN
InChI InChI=1S/C21H36O3Si/c1-14-9-10-21(13-23-25(7,8)19(3,4)5)18(11-14)24-16-12-17(22)20(21,6)15(16)2/h11,16-18,22H,2,9-10,12-13H2,1,3-8H3/t16-,17-,18-,20-,21-/m1/s1
InChIKey PPCMDNHFLBMLJJ-ORPNCOOFSA-N
Mol Weight 364.6 g/mol
Molecular Formula C21H36O3Si
Exact Mass 364.243372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjDK49paXDB
Name Trichotheca-9,12-dien-4-ol, 15-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (4.beta.)-(.+-.)-
CAS Registry Number 82891-17-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3Si
InChI InChI=1S/C21H36O3Si/c1-14-9-10-21(13-23-25(7,8)19(3,4)5)18(11-14)24-16-12-17(22)20(21,6)15(16)2/h11,16-18,22H,2,9-10,12-13H2,1,3-8H3/t16-,17-,18-,20-,21-/m1/s1
InChIKey PPCMDNHFLBMLJJ-ORPNCOOFSA-N
Molecular Weight 364.601 g/mol
SMILES O[C@]1([C@@]2([C@@]3([C@](O[C@@](C2=C)(C1)[H])(C=C(CC3)C)[H])CO[Si](C(C)(C)C)(C)C)C)[H]
SPLASH splash10-00b9-9400000000-380572a32d99a64c3b27
Source of Spectrum C-106-395-0
Synonyms (4beta)-15-{[tert-butyl(dimethyl)silyl]oxy}trichotheca-9,12-dien-4-ol 15-(tert-butyldimethylsiloxy)-4.alpha.-hydroxytrichothecane-9,112-diene 15-(tert-butyldimethylsiloxy)-4.alpha.-hydroxytrichothecane-9,12-diene 2,5-Methano-1-benzoxepin, trichotheca-9,12-dien-4-ol deriv.
Wiley ID 1350929