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2,4-DIBROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL-3-TRIMETHYLSILYL ETHER
SpectraBase Compound ID HMjiC1nAwYE
InChI InChI=1S/C23H30Br2O2Si/c1-6-23(26)12-10-18-15-7-8-16-17(14(15)9-11-22(18,23)2)13-19(24)21(20(16)25)27-28(3,4)5/h1,13-15,18,26H,7-12H2,2-5H3/t14-,15+,18-,22-,23-/m0/s1
InChIKey YVIUGRRQPURUGX-MNXOULMBSA-N
Mol Weight 526.38 g/mol
Molecular Formula C23H30Br2O2Si
Exact Mass 524.038183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60aJ1Ubwyct
Name 2,4-DIBROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL-3-TRIMETHYLSILYL ETHER
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Exact Mass 524.038182739 u
Formula C23H30Br2O2Si
InChI InChI=1S/C23H30Br2O2Si/c1-6-23(26)12-10-18-15-7-8-16-17(14(15)9-11-22(18,23)2)13-19(24)21(20(16)25)27-28(3,4)5/h1,13-15,18,26H,7-12H2,2-5H3/t14-,15+,18-,22-,23-/m0/s1
InChIKey YVIUGRRQPURUGX-MNXOULMBSA-N
Molecular Weight 526.384 g/mol
Nominal Mass 524 u
Number of Peaks 96
SMILES O[C@]1(CC[C@]2([C@@]3(CCc4c(c(c(cc4[C@]3(CC[C@]12C)[H])Br)O[Si](C)(C)C)Br)[H])[H])C#C
SPLASH splash10-044j-4639040000-a0a84b97b6e98e3d225b
Source File Reference LMCM-45960-315G
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 2,4-DIBROMO-17.ALPHA.-ETHYNYL-3-[(TRIMETHYLSILYL)OXY]ESTRA-1(10),2,4-TRIEN-17.ALPHA.-OL (8R,9S,13S,14S,17R)-2,4-dibromo-17-ethynyl-13-methyl-3-(trimethylsilyloxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
Wiley ID 4_1479