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3,6-Bis[(trimethylsilyl)oxy]cholest-4-ene
SpectraBase Compound ID B8Yp4dkP4na
InChI InChI=1S/C33H62O2Si2/c1-23(2)13-12-14-24(3)27-15-16-28-26-22-31(35-37(9,10)11)30-21-25(34-36(6,7)8)17-19-33(30,5)29(26)18-20-32(27,28)4/h21,23-29,31H,12-20,22H2,1-11H3/t24-,25?,26+,27-,28+,29+,31?,32-,33-/m1/s1
InChIKey YMNNERZJFCZEAZ-OJCGLCTNSA-N
Mol Weight 547.0 g/mol
Molecular Formula C33H62O2Si2
Exact Mass 546.428834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GFMABEhJxo
Name 3,6-bis[(Trimethylsilyl)oxy]cholest-4-ene
Comments Computed using HOSE algorithm
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Exact Mass 546.428834304 u
Formula C33H62O2Si2
InChI InChI=1S/C33H62O2Si2/c1-23(2)13-12-14-24(3)27-15-16-28-26-22-31(35-37(9,10)11)30-21-25(34-36(6,7)8)17-19-33(30,5)29(26)18-20-32(27,28)4/h21,23-29,31H,12-20,22H2,1-11H3/t24-,25?,26+,27-,28+,29+,31?,32-,33-/m1/s1
InChIKey YMNNERZJFCZEAZ-OJCGLCTNSA-N
Molecular Weight 547.027 g/mol
SMILES [C@]12(C(C(O[Si](C)(C)C)C[C@@]3([C@@]2(CC[C@@]2([C@@]([C@@](CCCC(C)C)(C)[H])(CC[C@@]32[H])[H])C)[H])[H])=CC(CC1)O[Si](C)(C)C)C