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Estra-1,3,5(10)-trien-17-one, 16-(4-bromo-2-butenyl)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (16.alpha.)-
SpectraBase Compound ID F4SpdmZXUIn
InChI InChI=1S/C28H41BrO2Si/c1-27(2,3)32(5,6)31-21-11-13-22-19(17-21)10-12-24-23(22)14-15-28(4)25(24)18-20(26(28)30)9-7-8-16-29/h7-8,11,13,17,20,23-25H,9-10,12,14-16,18H2,1-6H3/b8-7+/t20-,23-,24-,25+,28+/m1/s1
InChIKey MDMPHFVKDNFMDP-SQRFLXSZSA-N
Mol Weight 517.6 g/mol
Molecular Formula C28H41BrO2Si
Exact Mass 516.20592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iy6VXkVPJoK
Name Estra-1,3,5(10)-trien-17-one, 16-(4-bromo-2-butenyl)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (16.alpha.)-
CAS Registry Number 106161-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41BrO2Si
InChI InChI=1S/C28H41BrO2Si/c1-27(2,3)32(5,6)31-21-11-13-22-19(17-21)10-12-24-23(22)14-15-28(4)25(24)18-20(26(28)30)9-7-8-16-29/h7-8,11,13,17,20,23-25H,9-10,12,14-16,18H2,1-6H3/b8-7+/t20-,23-,24-,25+,28+/m1/s1
InChIKey MDMPHFVKDNFMDP-SQRFLXSZSA-N
Molecular Weight 517.623 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)(C\C=C\CBr)[H])[H])C
SPLASH splash10-00kr-0223960000-7e3b42fe5968df3c234d
Source of Spectrum J-52-250-5
Synonyms (16alpha)-16-[(2E)-4-bromo-2-butenyl]-3-{[tert-butyl(dimethyl)silyl]oxy}estra-1,3,5(10)-trien-17-one 16.alpha.-(4-bromo-2-butenyl)-3-[(tert-butyldimethylsilyl)-oxy]estra-1,3,5(10)-trien-17-one
Wiley ID 1401419