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Ethinylestradiol TMS
SpectraBase Compound ID 1DQa4jn9e0a
InChI InChI=1S/C23H32O2Si/c1-6-23(24)14-12-21-20-9-7-16-15-17(25-26(3,4)5)8-10-18(16)19(20)11-13-22(21,23)2/h1,8,10,15,19-21,24H,7,9,11-14H2,2-5H3/t19-,20-,21+,22+,23+/m1/s1
InChIKey OPWNBYUFDFXXHX-VROINQGHSA-N
Mol Weight 368.6 g/mol
Molecular Formula C23H32O2Si
Exact Mass 368.217157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnAmTCVN6uo
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-ol
Alternate Name(s) (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-((trimethylsilyl)oxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
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Formula C23H32O2Si
InChI InChI=1S/C23H32O2Si/c1-6-23(24)14-12-21-20-9-7-16-15-17(25-26(3,4)5)8-10-18(16)19(20)11-13-22(21,23)2/h1,8,10,15,19-21,24H,7,9,11-14H2,2-5H3/t19-,20-,21+,22+,23+/m1/s1
InChIKey OPWNBYUFDFXXHX-VROINQGHSA-N
Literature Reference DOI 10.1002/rcm.819
Molecular Weight 368.592 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3(c4ccc(cc4CC[C@]3([C@@]2(CC1)[H])[H])O[Si](C)(C)C)[H])C)C#C
SPLASH splash10-014i-0059000000-c006b11c1feb2b0d2a03
Source of Spectrum RCM-17-61-MonoTMS_EE2
Wiley ID 1819850