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16.BETA.-BROMO-3-[(TRIMETHYLSILYL)OXY]-ESTRA-1,3,5(10)-TRIENE-17-ONE-17-(O-METHYLOXIME)
SpectraBase Compound ID Dm7P2Z1trSz
InChI InChI=1S/C22H32BrNO2Si/c1-22-11-10-17-16-9-7-15(26-27(3,4)5)12-14(16)6-8-18(17)19(22)13-20(23)21(22)24-25-2/h7,9,12,17-20H,6,8,10-11,13H2,1-5H3/b24-21+/t17-,18-,19+,20+,22+/m1/s1
InChIKey MDRDUWQVPWBQPG-GWOZTJMNSA-N
Mol Weight 450.5 g/mol
Molecular Formula C22H32BrNO2Si
Exact Mass 449.138569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXfoMdrZsWT
Name 16.BETA.-BROMO-3-[(TRIMETHYLSILYL)OXY]-ESTRA-1,3,5(10)-TRIENE-17-ONE-17-(O-METHYLOXIME)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 449.138568807 u
Formula C22H32BrNO2Si
InChI InChI=1S/C22H32BrNO2Si/c1-22-11-10-17-16-9-7-15(26-27(3,4)5)12-14(16)6-8-18(17)19(22)13-20(23)21(22)24-25-2/h7,9,12,17-20H,6,8,10-11,13H2,1-5H3/b24-21+/t17-,18-,19+,20+,22+/m1/s1
InChIKey MDRDUWQVPWBQPG-GWOZTJMNSA-N
Molecular Weight 450.492 g/mol
Nominal Mass 449 u
Number of Peaks 51
SMILES c1(ccc2[C@]3(CC[C@@]4(\C([C@](C[C@]4([C@@]3(CCc2c1)[H])[H])(Br)[H])=N\OC)C)[H])O[Si](C)(C)C
SPLASH splash10-0uxr-5295600000-604ed7939c965c1d93ab
Source File Reference LMCM-73653-088Q
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 16-BROMO-3-[(TRIMETHYLSILYL)OXY]ESTRA-1(10),2,4-TRIEN-17-ONE O-METHYLOXIME (2S,3aS,3bR,9bS,11aS,Z)-16-bromo-13-methyl-3-(trimethylsilyloxy)-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one O-methyl oxime
Wiley ID 4_1485