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3-TBDMS-17-hfb of e-2-methoxy-3,17.beta.-diol
SpectraBase Compound ID Le0bwZLSmtq
InChI InChI=1S/C29H39F7O4Si/c1-25(2,3)41(6,7)40-22-14-16-8-9-18-17(19(16)15-21(22)38-5)12-13-26(4)20(18)10-11-23(26)39-24(37)27(30,31)28(32,33)29(34,35)36/h14-15,17-18,20,23H,8-13H2,1-7H3/t17-,18+,20-,23+,26-/m0/s1
InChIKey NMDXBSXESTWUHW-NNUJRVADSA-N
Mol Weight 612.7 g/mol
Molecular Formula C29H39F7O4Si
Exact Mass 612.250583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYlNixVB7hB
Name 3-TBDMS-17-hfb of e-2-methoxy-3,17.beta.-diol
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Formula C29H39F7O4Si
InChI InChI=1S/C29H39F7O4Si/c1-25(2,3)41(6,7)40-22-14-16-8-9-18-17(19(16)15-21(22)38-5)12-13-26(4)20(18)10-11-23(26)39-24(37)27(30,31)28(32,33)29(34,35)36/h14-15,17-18,20,23H,8-13H2,1-7H3/t17-,18+,20-,23+,26-/m0/s1
InChIKey NMDXBSXESTWUHW-NNUJRVADSA-N
Molecular Weight 612.701 g/mol
SMILES C(C(C(O[C@]1([C@@]2([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])cc(OC)c(c4)O[Si](C(C)(C)C)(C)C)[H])([H])CC1)C)[H])=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-0a4l-0000090000-282438143d961f4230b4
Source of Spectrum KO-18-315-0
Synonyms (17alpha)-3-{[tert-butyl(dimethyl)silyl]oxy}-2-methoxyestra-1,3,5(10)-trien-17-yl 2,2,3,3,4,4,4-heptafluorobutanoate 2-Methoxy-3-[(t-butyl)dimethylsilyloxy]-17.beta.-heptafluorobutanoyl-1,3,5(10)-estratriene
Wiley ID 1411036