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3-[(TRIMETHYLSILYL)OXY]-ESTRA-1,3,5(10)-TRIENE-16,17-DIONE-16,17-DI-(O-METHYLOXIME)
SpectraBase Compound ID Gsi1ymmml90
InChI InChI=1S/C23H34N2O3Si/c1-23-12-11-18-17-10-8-16(28-29(4,5)6)13-15(17)7-9-19(18)20(23)14-21(24-26-2)22(23)25-27-3/h8,10,13,18-20H,7,9,11-12,14H2,1-6H3/b24-21-,25-22+/t18-,19-,20+,23+/m1/s1
InChIKey MOBSUIKFQIWSJI-SPCFEHEVSA-N
Mol Weight 414.6 g/mol
Molecular Formula C23H34N2O3Si
Exact Mass 414.233869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80eHHpVSkgH
Name 3-[(TRIMETHYLSILYL)OXY]-ESTRA-1,3,5(10)-TRIENE-16,17-DIONE-16,17-DI-(O-METHYLOXIME)
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Exact Mass 414.233869495 u
Formula C23H34N2O3Si
InChI InChI=1S/C23H34N2O3Si/c1-23-12-11-18-17-10-8-16(28-29(4,5)6)13-15(17)7-9-19(18)20(23)14-21(24-26-2)22(23)25-27-3/h8,10,13,18-20H,7,9,11-12,14H2,1-6H3/b24-21-,25-22+/t18-,19-,20+,23+/m1/s1
InChIKey MOBSUIKFQIWSJI-SPCFEHEVSA-N
Molecular Weight 414.621 g/mol
Nominal Mass 414 u
Number of Peaks 175
SMILES c1(ccc2[C@]3(CC[C@@]4(\C(\C(C[C@]4([C@@]3(CCc2c1)[H])[H])=N/OC)=N\OC)C)[H])O[Si](C)(C)C
SPLASH splash10-03e9-2395600000-4c4f3627a751b5ba0743
Source File Reference LMCM-45351-340T
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3-[(TRIMETHYLSILYL)OXY]ESTRA-1(10),2,4-TRIENE-16,17-DIONE BIS(O-METHYLOXIME) (1Z,2Z,3aS,3bR,9bS,11aS)-13-methyl-3-(trimethylsilyloxy)-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthrene-16,17-dione O,O-dimethyl dioxime
Wiley ID 4_1438