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Ethyl 1.beta.,3.alpha,12.alpha.-tris(dimethylethylsilyloxy)-5.beta.-cholanoate
SpectraBase Compound ID 2Ae4WkY7Trw
InChI InChI=1S/C38H74O5Si3/c1-14-40-36(39)23-18-27(5)31-21-22-32-30-20-19-28-24-29(41-44(8,9)15-2)25-34(42-45(10,11)16-3)37(28,6)33(30)26-35(38(31,32)7)43-46(12,13)17-4/h27-35H,14-26H2,1-13H3/t27-,28-,29+,30+,31-,32+,33+,34-,35+,37+,38-/m1/s1
InChIKey DJOSXFDNJYKZCW-QYFFREBHSA-N
Mol Weight 695.3 g/mol
Molecular Formula C38H74O5Si3
Exact Mass 694.484405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2G1y4vYrQum
Name Ethyl 1.beta.,3.alpha,12.alpha.-tris(dimethylethylsilyloxy)-5.beta.-cholanoate
Alternate Name(s) Ethyl (1beta,3alpha,5beta,12alpha)-1,3,12-tris{[ethyl(dimethyl)silyl]oxy}cholan-24-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H74O5Si3
InChI InChI=1S/C38H74O5Si3/c1-14-40-36(39)23-18-27(5)31-21-22-32-30-20-19-28-24-29(41-44(8,9)15-2)25-34(42-45(10,11)16-3)37(28,6)33(30)26-35(38(31,32)7)43-46(12,13)17-4/h27-35H,14-26H2,1-13H3/t27-,28-,29+,30+,31-,32+,33+,34-,35+,37+,38-/m1/s1
InChIKey DJOSXFDNJYKZCW-QYFFREBHSA-N
Molecular Weight 695.260 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C[C@@]2(O[Si](CC)(C)C)[H])[H])([C@@](C[C@](C4)(O[Si](CC)(C)C)[H])(O[Si](CC)(C)C)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OCC)(C)[H])[H])[H])C
SPLASH splash10-00kb-0093015000-e31e4141a329d7e8c10f
Source of Spectrum JC-488-320-0
Wiley ID 1414863