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Estra-1,3,5(10)-trien-17-ol, 3-[[(1,1-dimethylethyl)dimethylsilyl]ox y]-16-[3-(trimethylsilyl)-2-propynyl]-, (16.alpha.,17.beta.)-
SpectraBase Compound ID 8bw6xZIpSZH
InChI InChI=1S/C30H48O2Si2/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/h13,15,19,22,25-28,31H,11-12,14,16-17,20H2,1-9H3/t22-,25-,26-,27+,28+,30+/m1/s1
InChIKey DIFHJVRUVNOMBH-BWFCKMRWSA-N
Mol Weight 496.9 g/mol
Molecular Formula C30H48O2Si2
Exact Mass 496.319284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CcOpmCikKd
Name Estra-1,3,5(10)-trien-17-ol, 3-[[(1,1-dimethylethyl)dimethylsilyl]ox y]-16-[3-(trimethylsilyl)-2-propynyl]-, (16.alpha.,17.beta.)-
CAS Registry Number 106139-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O2Si2
InChI InChI=1S/C30H48O2Si2/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/h13,15,19,22,25-28,31H,11-12,14,16-17,20H2,1-9H3/t22-,25-,26-,27+,28+,30+/m1/s1
InChIKey DIFHJVRUVNOMBH-BWFCKMRWSA-N
Molecular Weight 496.882 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(O[Si](C(C)(C)C)(C)C)c4)[H])(C[C@]1(CC#C[Si](C)(C)C)[H])[H])C)[H]
SPLASH splash10-000b-0130900000-5c6e491cd7e7f71240f3
Source of Spectrum J-52-251-7
Synonyms (16alpha,17beta)-3-{[tert-butyl(dimethyl)silyl]oxy}-16-[3-(trimethylsilyl)-2-propynyl]estra-1,3,5(10)-trien-17-ol 16.alpha.-[3-(trimethylsilyl)-2-propynyl]-3-[(tert-butyldimethylsilyl)oxy]estra-1,3,5(10)-trien-17.beta.-ol
Wiley ID 1398309