For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-BROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL-DI-TRIMETHYLSILYL ETHER
SpectraBase Compound ID 3mrXX9Bfn6R
InChI InChI=1S/C26H39BrO2Si2/c1-9-26(29-31(6,7)8)17-15-22-20-10-11-21-18(19(20)14-16-25(22,26)2)12-13-23(24(21)27)28-30(3,4)5/h1,12-13,19-20,22H,10-11,14-17H2,2-8H3/t19-,20-,22+,25+,26+/m1/s1
InChIKey DDOUEQCXCSIGLU-FOCXTRSSSA-N
Mol Weight 519.7 g/mol
Molecular Formula C26H39BrO2Si2
Exact Mass 518.167197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8C7ZRsoTvBq
Name 4-BROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL-DI-TRIMETHYLSILYL ETHER
Copyright Copyright © 2011-2025 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)17-15-22-20-10-11-21-18(19(20)14-16-25(22,26)2)12-13-23(24(21)27)28-30(3,4)5/h1,12-13,19-20,22H,10-11,14-17H2,2-8H3/t19-,20-,22+,25+,26+/m1/s1
InChIKey DDOUEQCXCSIGLU-FOCXTRSSSA-N
Molecular Weight 519.670 g/mol
Nominal Mass 518 u
Number of Peaks 235
SMILES c1(ccc2[C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCc2c1Br)[H])[H])(O[Si](C)(C)C)C#C)C)[H])O[Si](C)(C)C
SPLASH splash10-0r00-3689170000-a22d32e6d7f222274481
Source File Reference LMCM-36516-170E
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 4-BROMO-17-ETHYNYL-3,17-BIS[(TRIMETHYLSILYL)OXY]ESTRA-1(10),2,4-TRIENE ((8R,9S,13S,14S,17R)-4-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_1489