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(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-17-(1-iodopropan-2-yl)-2-methylidene-9,10-secoestra-5,7-diene

View entire compound with spectra: 1 MS (GC)

(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-17-(1-iodopropan-2-yl)-2-methylidene-9,10-secoestra-5,7-diene
SpectraBase Compound ID 4iRLTZSKUEt
InChI InChI=1S/C34H61IO2Si2/c1-24(23-35)28-18-19-29-27(15-14-20-34(28,29)9)17-16-26-21-30(36-38(10,11)32(3,4)5)25(2)31(22-26)37-39(12,13)33(6,7)8/h16-17,24,28-31H,2,14-15,18-23H2,1,3-13H3/b27-17+/t24-,28-,29+,30-,31-,34-/m1/s1
InChIKey XEYYXFDJEHRTNX-USESVHIVSA-N
Mol Weight 684.9 g/mol
Molecular Formula C34H61IO2Si2
Exact Mass 684.325479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBw4HkXQ1Mp
Name (1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-17-(1-iodopropan-2-yl)-2-methylidene-9,10-secoestra-5,7-diene
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Formula C34H61IO2Si2
InChI InChI=1S/C34H61IO2Si2/c1-24(23-35)28-18-19-29-27(15-14-20-34(28,29)9)17-16-26-21-30(36-38(10,11)32(3,4)5)25(2)31(22-26)37-39(12,13)33(6,7)8/h16-17,24,28-31H,2,14-15,18-23H2,1,3-13H3/b27-17+/t24-,28-,29+,30-,31-,34-/m1/s1
InChIKey XEYYXFDJEHRTNX-USESVHIVSA-N
Instrument Name a JEOL JMS D-300 and JEOL JMS-HX110A
Ionization Type EI
Literature Reference DOI 10.1021/jm100649d
Molecular Weight 684.934 g/mol
Reported Formula C34H61O2Si2I
SMILES C1C[C@]2([C@](\C(C1)=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])(CC[C@@]2([C@@](CI)(C)[H])[H])[H])C
SPLASH splash10-0uk9-4002290000-0ea0ff7f4dcc4552240a
Source of Spectrum AF-53-5822-23
Wiley ID 1846215