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Estra-1,3,5(10)-trien-17-one, 3-[[(1,1-dimethylethyl)dimethylsilyl]o xy]-16-(4-phenoxy-2-butenyl)-, (16.alpha.)-
SpectraBase Compound ID 24koglOQA1t
InChI InChI=1S/C34H46O3Si/c1-33(2,3)38(5,6)37-27-16-18-28-24(22-27)15-17-30-29(28)19-20-34(4)31(30)23-25(32(34)35)12-10-11-21-36-26-13-8-7-9-14-26/h7-11,13-14,16,18,22,25,29-31H,12,15,17,19-21,23H2,1-6H3/b11-10+/t25-,29-,30-,31+,34+/m1/s1
InChIKey PUKNSCBAAWGFTA-TVJWBPQFSA-N
Mol Weight 530.8 g/mol
Molecular Formula C34H46O3Si
Exact Mass 530.321622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvydQBeMbYT
Name Estra-1,3,5(10)-trien-17-one, 3-[[(1,1-dimethylethyl)dimethylsilyl]o xy]-16-(4-phenoxy-2-butenyl)-, (16.alpha.)-
CAS Registry Number 106139-58-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46O3Si
InChI InChI=1S/C34H46O3Si/c1-33(2,3)38(5,6)37-27-16-18-28-24(22-27)15-17-30-29(28)19-20-34(4)31(30)23-25(32(34)35)12-10-11-21-36-26-13-8-7-9-14-26/h7-11,13-14,16,18,22,25,29-31H,12,15,17,19-21,23H2,1-6H3/b11-10+/t25-,29-,30-,31+,34+/m1/s1
InChIKey PUKNSCBAAWGFTA-TVJWBPQFSA-N
Molecular Weight 530.824 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(O[Si](C(C)(C)C)(C)C)c4)[H])(C[C@](C1=O)(C\C=C\COc1ccccc1)[H])[H])C
SPLASH splash10-000i-0014920000-c37cb8f386285d288510
Source of Spectrum J-52-250-5
Synonyms (16alpha)-3-{[tert-butyl(dimethyl)silyl]oxy}-16-[(2E)-4-phenoxy-2-butenyl]estra-1,3,5(10)-trien-17-one 16.alpha.-(4-phenoxy-2-butenyl)-3-[(tert-butyldimethylsilyl)-oxy]estra-1,3,5(10)-trien-17-one
Wiley ID 1403402