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2-BROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL-DI-TRIMETHYLSILYL ETHER
SpectraBase Compound ID 2wMgMS5MX2G
InChI InChI=1S/C26H39BrO2Si2/c1-9-26(29-31(6,7)8)15-13-22-20-11-10-18-16-24(28-30(3,4)5)23(27)17-21(18)19(20)12-14-25(22,26)2/h1,16-17,19-20,22H,10-15H2,2-8H3/t19-,20+,22-,25-,26-/m0/s1
InChIKey UCRJFYNVPHZMSQ-IASQOJPJSA-N
Mol Weight 519.7 g/mol
Molecular Formula C26H39BrO2Si2
Exact Mass 518.167197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeRERtOFiLP
Name 2-BROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL-DI-TRIMETHYLSILYL ETHER
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 518.167196564 u
Formula C26H39BrO2Si2
InChI InChI=1S/C26H39BrO2Si2/c1-9-26(29-31(6,7)8)15-13-22-20-11-10-18-16-24(28-30(3,4)5)23(27)17-21(18)19(20)12-14-25(22,26)2/h1,16-17,19-20,22H,10-15H2,2-8H3/t19-,20+,22-,25-,26-/m0/s1
InChIKey UCRJFYNVPHZMSQ-IASQOJPJSA-N
Molecular Weight 519.670 g/mol
Nominal Mass 518 u
Number of Peaks 202
SMILES c1(c(cc2[C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCc2c1)[H])[H])(O[Si](C)(C)C)C#C)C)[H])Br)O[Si](C)(C)C
SPLASH splash10-0pb9-3679170000-a39333090c4cd9488f39
Source File Reference LMCM-69714-682D
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 2-BROMO-17-ETHYNYL-3,17-BIS[(TRIMETHYLSILYL)OXY]ESTRA-1(10),2,4-TRIENE ((8R,9S,13S,14S,17R)-2-bromo-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl)bis(oxy)bis(trimethylsilane)
Wiley ID 4_1495