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Estra-1,3,5(10)-trien-17-one, 3-[[(1,1-dimethylethyl)dimethylsilyl]o xy]-16-[3-(trimethylsilyl)-2-propynyl]-, (16.alpha.)-
SpectraBase Compound ID GUGloCwjWYX
InChI InChI=1S/C30H46O2Si2/c1-29(2,3)34(8,9)32-23-13-15-24-21(19-23)12-14-26-25(24)16-17-30(4)27(26)20-22(28(30)31)11-10-18-33(5,6)7/h13,15,19,22,25-27H,11-12,14,16-17,20H2,1-9H3/t22-,25-,26-,27+,30+/m1/s1
InChIKey PPXOAZNIDHIFGZ-PXFRZSSMSA-N
Mol Weight 494.9 g/mol
Molecular Formula C30H46O2Si2
Exact Mass 494.303634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GL4OlxiQXSI
Name Estra-1,3,5(10)-trien-17-one, 3-[[(1,1-dimethylethyl)dimethylsilyl]o xy]-16-[3-(trimethylsilyl)-2-propynyl]-, (16.alpha.)-
Alternate Name(s) (16alpha)-3-{[tert-butyl(dimethyl)silyl]oxy}-16-[3-(trimethylsilyl)-2-propynyl]estra-1,3,5(10)-trien-17-one 16.alpha.-[3-(trimethylsilyl)-2-propynyl]-3-[(tert-butyldimethylsilyl)oxy]estra-1,3,5(10)-trien-17-one
CAS Registry Number 106139-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46O2Si2
InChI InChI=1S/C30H46O2Si2/c1-29(2,3)34(8,9)32-23-13-15-24-21(19-23)12-14-26-25(24)16-17-30(4)27(26)20-22(28(30)31)11-10-18-33(5,6)7/h13,15,19,22,25-27H,11-12,14,16-17,20H2,1-9H3/t22-,25-,26-,27+,30+/m1/s1
InChIKey PPXOAZNIDHIFGZ-PXFRZSSMSA-N
Molecular Weight 494.866 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(O[Si](C(C)(C)C)(C)C)c4)[H])(C[C@](C1=O)(CC#C[Si](C)(C)C)[H])[H])C
SPLASH splash10-000g-0020900000-872745d5790d2ee6780e
Source of Spectrum J-52-250-5
Wiley ID 1397975