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Ethinylestradiol 2TMS
SpectraBase Compound ID KxNzaXn60gh
InChI InChI=1S/C26H40O2Si2/c1-9-26(28-30(6,7)8)17-15-24-23-12-10-19-18-20(27-29(3,4)5)11-13-21(19)22(23)14-16-25(24,26)2/h1,11,13,18,22-24H,10,12,14-17H2,2-8H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey JERDCJZDIHZFGT-JMTTVTNBSA-N
Mol Weight 440.8 g/mol
Molecular Formula C26H40O2Si2
Exact Mass 440.256684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CwS5hYk71E
Name [(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy-trimethyl-silane
Alternate Name(s) (((8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl)bis(oxy))bis(trimethylsilane)
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Formula C26H40O2Si2
InChI InChI=1S/C26H40O2Si2/c1-9-26(28-30(6,7)8)17-15-24-23-12-10-19-18-20(27-29(3,4)5)11-13-21(19)22(23)14-16-25(24,26)2/h1,11,13,18,22-24H,10,12,14-17H2,2-8H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey JERDCJZDIHZFGT-JMTTVTNBSA-N
Molecular Weight 440.774 g/mol
SMILES c1cc2c(cc1O[Si](C)(C)C)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@]2(C#C)O[Si](C)(C)C)[H])C)[H])[H]
SPLASH splash10-004i-0000900000-03544ce39ac18f7bae8b
Source of Spectrum RCM-22-3658-di_TMS_EE2
Wiley ID 1814496