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Methyl 3,6,7-tris(trimethylsilyl).-.beta..-muricholate
SpectraBase Compound ID 1SGbalePHJF
InChI InChI=1S/C34H66O5Si3/c1-23(14-17-29(35)36-4)25-15-16-26-30-27(19-21-33(25,26)2)34(3)20-18-24(37-40(5,6)7)22-28(34)31(38-41(8,9)10)32(30)39-42(11,12)13/h23-28,30-32H,14-22H2,1-13H3/t23-,24-,25-,26+,27+,28+,30+,31+,32-,33-,34-/m1/s1
InChIKey MPBUWUAYSDIDGN-PSZFJKGZSA-N
Mol Weight 639.2 g/mol
Molecular Formula C34H66O5Si3
Exact Mass 638.421805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxbCzFscWCI
Name Methyl 3,6,7-tris(trimethylsilyl).-.beta..-muricholate
Alternate Name(s) Methyl 3.alpha.,6.beta.,7.beta.-tris[(trimethylsilyl)oxy]-.5.beta.-cholanate
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Formula C34H66O5Si3
InChI InChI=1S/C34H66O5Si3/c1-23(14-17-29(35)36-4)25-15-16-26-30-27(19-21-33(25,26)2)34(3)20-18-24(37-40(5,6)7)22-28(34)31(38-41(8,9)10)32(30)39-42(11,12)13/h23-28,30-32H,14-22H2,1-13H3/t23-,24-,25-,26+,27+,28+,30+,31+,32-,33-,34-/m1/s1
InChIKey MPBUWUAYSDIDGN-PSZFJKGZSA-N
Molecular Weight 639.152 g/mol
SMILES [C@]1([C@]([C@@]2(C[C@](O[Si](C)(C)C)(CC[C@@]2([C@@]2([C@@]1([C@]1([C@@]([C@@]([C@@](CCC(=O)OC)(C)[H])(CC1)[H])(CC2)C)[H])[H])[H])C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H]
SPLASH splash10-000b-0971110000-bc17855af3174ff0e0e6
Source of Spectrum W-0-1-235
Wiley ID 754146