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5.ALPHA.-ESTRAN-3.ALPHA.-OL-17-ONE-TRIMETHYLSILYL ETHER
SpectraBase Compound ID 3AeUqPlmJjB
InChI InChI=1S/C21H36O2Si/c1-21-12-11-17-16-8-6-15(23-24(2,3)4)13-14(16)5-7-18(17)19(21)9-10-20(21)22/h14-19H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,21-/m0/s1
InChIKey PMSSSTWREGUKQF-DJZPLQFYSA-N
Mol Weight 348.6 g/mol
Molecular Formula C21H36O2Si
Exact Mass 348.248457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIyLGZXbuHA
Name 5.ALPHA.-ESTRAN-3.ALPHA.-OL-17-ONE-TRIMETHYLSILYL ETHER
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 348.248456932 u
Formula C21H36O2Si
InChI InChI=1S/C21H36O2Si/c1-21-12-11-17-16-8-6-15(23-24(2,3)4)13-14(16)5-7-18(17)19(21)9-10-20(21)22/h14-19H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,21-/m0/s1
InChIKey PMSSSTWREGUKQF-DJZPLQFYSA-N
Molecular Weight 348.602 g/mol
Nominal Mass 348 u
Number of Peaks 142
SMILES [C@@]1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=O)C)[H])[H])(O[Si](C)(C)C)[H]
SPLASH splash10-053r-9576000000-2ff6f2f2375b00ef11ed
Source File Reference LMCM-87599-007B
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3-[(TRIMETHYLSILYL)OXY]ESTRAN-17-ONE (3R,5S,8R,9R,10S,13S,14S)-13-methyl-3-(trimethylsilyloxy)tetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Wiley ID 4_1553