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3-(tert-Butyldimethylsiloxy)-17.alpha.-(2',3'-epoxyprop-1'-yl)estra-1,3,5(10)-trien-17.beta.-ol isomer
SpectraBase Compound ID J4CCR6iGGq7
InChI InChI=1S/C27H42O3Si/c1-25(2,3)31(5,6)30-19-8-10-21-18(15-19)7-9-23-22(21)11-13-26(4)24(23)12-14-27(26,28)16-20-17-29-20/h8,10,15,20,22-24,28H,7,9,11-14,16-17H2,1-6H3/t20?,22-,23-,24+,26+,27-/m1/s1
InChIKey XHPJPEQKWMWEFI-ZMGALUPKSA-N
Mol Weight 442.7 g/mol
Molecular Formula C27H42O3Si
Exact Mass 442.290322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHvo7POjyGT
Name 3-(tert-Butyldimethylsiloxy)-17.alpha.-(2',3'-epoxyprop-1'-yl)estra-1,3,5(10)-trien-17.beta.-ol isomer
Alternate Name(s) 3-(tert-Butyldimethylsiloxy)-17.alpha.-(2',3'-epoxyprop-1'-yl)estra-1,3,5(10)-trien-17.beta.-ol (17beta)-3-{[tert-butyl(dimethyl)silyl]oxy}-17-(2-oxiranylmethyl)estra-1,3,5(10)-trien-17-ol
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Formula C27H42O3Si
InChI InChI=1S/C27H42O3Si/c1-25(2,3)31(5,6)30-19-8-10-21-18(15-19)7-9-23-22(21)11-13-26(4)24(23)12-14-27(26,28)16-20-17-29-20/h8,10,15,20,22-24,28H,7,9,11-14,16-17H2,1-6H3/t20?,22-,23-,24+,26+,27-/m1/s1
InChIKey XHPJPEQKWMWEFI-ZMGALUPKSA-N
Molecular Weight 442.715 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(O[Si](C(C)(C)C)(C)C)c4)[H])(CC1)[H])C)CC1OC1
SPLASH splash10-0006-9028800000-49f24f6dc71fe731fde8
Source of Spectrum E1-36-2981-5
Wiley ID 1574693