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16.BETA.-BROMO-3-[(TRIMETHYLSILYL)OXY]ESTRA-1(10),2,4-TRIEN-17-ONE
SpectraBase Compound ID JcaFt4HubnJ
InChI InChI=1S/C21H29BrO2Si/c1-21-10-9-16-15-8-6-14(24-25(2,3)4)11-13(15)5-7-17(16)18(21)12-19(22)20(21)23/h6,8,11,16-19H,5,7,9-10,12H2,1-4H3/t16-,17-,18+,19+,21+/m1/s1
InChIKey ZHMZGLIPRZGYDT-AGRFSFNASA-N
Mol Weight 421.45 g/mol
Molecular Formula C21H29BrO2Si
Exact Mass 420.11202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gWWCgwXoDt
Name 16.BETA.-BROMO-3-[(TRIMETHYLSILYL)OXY]ESTRA-1(10),2,4-TRIEN-17-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 420.112019707 u
Formula C21H29BrO2Si
InChI InChI=1S/C21H29BrO2Si/c1-21-10-9-16-15-8-6-14(24-25(2,3)4)11-13(15)5-7-17(16)18(21)12-19(22)20(21)23/h6,8,11,16-19H,5,7,9-10,12H2,1-4H3/t16-,17-,18+,19+,21+/m1/s1
InChIKey ZHMZGLIPRZGYDT-AGRFSFNASA-N
Molecular Weight 421.450 g/mol
Nominal Mass 420 u
Number of Peaks 73
SMILES c1(ccc2[C@]3(CC[C@@]4(C([C@](C[C@]4([C@@]3(CCc2c1)[H])[H])(Br)[H])=O)C)[H])O[Si](C)(C)C
SPLASH splash10-00di-1183900000-ac455244163fecfe4345
Source File Reference LMCM-57048-274E
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 16.BETA.-BROMO-ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE-3-TRIMETHYLSILYL ETHER (8R,9S,13S,14S,16S)-16-bromo-13-methyl-3-(trimethylsilyloxy)-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
Wiley ID 4_1484