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3,16.ALPHA.-DI-[(TRIMETHYLSILYL)OXY]-ESTRA-1,3,5(10)-TRIENE-17-ONE-17-(O-METHYLOXIME)
SpectraBase Compound ID 57eZs7c5W06
InChI InChI=1S/C25H41NO3Si2/c1-25-14-13-20-19-12-10-18(28-30(3,4)5)15-17(19)9-11-21(20)22(25)16-23(24(25)26-27-2)29-31(6,7)8/h10,12,15,20-23H,9,11,13-14,16H2,1-8H3/b26-24-/t20-,21-,22+,23-,25+/m1/s1
InChIKey GAGHQBMOXLVOIC-IBYVRIPUSA-N
Mol Weight 459.8 g/mol
Molecular Formula C25H41NO3Si2
Exact Mass 459.262497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Qc5WWTaibv
Name 3,16.ALPHA.-DI-[(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 459.262497251 u
Formula C25H41NO3Si2
InChI InChI=1S/C25H41NO3Si2/c1-25-14-13-20-19-12-10-18(28-30(3,4)5)15-17(19)9-11-21(20)22(25)16-23(24(25)26-27-2)29-31(6,7)8/h10,12,15,20-23H,9,11,13-14,16H2,1-8H3/b26-24-/t20-,21-,22+,23-,25+/m1/s1
InChIKey GAGHQBMOXLVOIC-IBYVRIPUSA-N
Molecular Weight 459.777 g/mol
Nominal Mass 459 u
Number of Peaks 276
SMILES c1(ccc2[C@]3(CC[C@@]4(\C([C@@](C[C@]4([C@@]3(CCc2c1)[H])[H])(O[Si](C)(C)C)[H])=N/OC)C)[H])O[Si](C)(C)C
SPLASH splash10-06vr-3362900000-7a02e6c4bad389e15488
Source File Reference LMCM-84460-845Z
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3,16-BIS[(TRIMETHYLSILYL)OXY]ESTRA-1(10),2,4-TRIEN-17-ONE O-METHYLOXIME (2R,3aS,3bR,9bS,11aS,E)-13-methyl-3,16-bis(trimethylsilyloxy)-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one O-methyl oxime
Wiley ID 4_1928