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4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]pentan-1-ol
SpectraBase Compound ID 7G2GOCNKxIl
InChI InChI=1S/C36H66O3Si2/c1-26(16-15-23-37)30-20-21-31-29(17-14-22-36(30,31)9)19-18-28-24-32(38-40(10,11)34(3,4)5)27(2)33(25-28)39-41(12,13)35(6,7)8/h18-19,26,30-33,37H,2,14-17,20-25H2,1,3-13H3/b29-19+/t26-,30-,31+,32-,33-,36-/m1/s1
InChIKey UCMLEIUPTQYFNL-NQBOGCPLSA-N
Mol Weight 603.1 g/mol
Molecular Formula C36H66O3Si2
Exact Mass 602.455049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkyETtR4KqH
Name 4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]pentan-1-ol
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Formula C36H66O3Si2
InChI InChI=1S/C36H66O3Si2/c1-26(16-15-23-37)30-20-21-31-29(17-14-22-36(30,31)9)19-18-28-24-32(38-40(10,11)34(3,4)5)27(2)33(25-28)39-41(12,13)35(6,7)8/h18-19,26,30-33,37H,2,14-17,20-25H2,1,3-13H3/b29-19+/t26-,30-,31+,32-,33-,36-/m1/s1
InChIKey UCMLEIUPTQYFNL-NQBOGCPLSA-N
Instrument Name a JEOL JMS D-300 and JEOL JMS-HX110A
Ionization Type EI
Literature Reference DOI 10.1021/jm100649d
Molecular Weight 603.091 g/mol
Reported Formula C36H67O3Si2
SMILES OCCC[C@]([C@@]1([C@]2(CCC\C([C@@]2(CC1)[H])=C/C=C1C[C@](C([C@@](C1)(O[Si](C(C)(C)C)(C)C)[H])=C)(O[Si](C(C)(C)C)(C)C)[H])C)[H])(C)[H]
SPLASH splash10-00dj-8900100000-f0a1dc045fa2138e3dff
Source of Spectrum AF-53-5819-11
Wiley ID 1846206