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Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.alpha.,7.alpha.,12.alpha.)-

View entire compound with spectra: 1 MS (GC)

Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.alpha.,7.alpha.,12.alpha.)-
SpectraBase Compound ID 9ThfiowXCek
InChI InChI=1S/C34H66O5Si3/c1-23(14-17-31(35)36-4)26-15-16-27-32-28(22-30(34(26,27)3)39-42(11,12)13)33(2)19-18-25(37-40(5,6)7)20-24(33)21-29(32)38-41(8,9)10/h23-30,32H,14-22H2,1-13H3/t23-,24-,25-,26-,27+,28+,29-,30+,32+,33+,34-/m1/s1
InChIKey DQKFOBXAKZGIPX-HEIVCLOTSA-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 EBdOHRLZ78m
Name Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.alpha.,7.alpha.,12.alpha.)-
CAS Registry Number 17364-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H66O5Si3
InChI InChI=1S/C34H66O5Si3/c1-23(14-17-31(35)36-4)26-15-16-27-32-28(22-30(34(26,27)3)39-42(11,12)13)33(2)19-18-25(37-40(5,6)7)20-24(33)21-29(32)38-41(8,9)10/h23-30,32H,14-22H2,1-13H3/t23-,24-,25-,26-,27+,28+,29-,30+,32+,33+,34-/m1/s1
InChIKey DQKFOBXAKZGIPX-HEIVCLOTSA-N
Molecular Weight 639.152 g/mol
SMILES [C@@]12([C@]([C@@]3([C@@](C[C@@]4([C@@]([C@]3(C[C@@]2(O[Si](C)(C)C)[H])[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])(O[Si](C)(C)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C
SPLASH splash10-052f-2985300000-6be342d72dd29142862e
Source of Spectrum MG-16-255-72
Synonyms 5.alpha.-cholan-24-oic acid, 3.alpha.,7.alpha.,12.alpha.-tris(trimethylsiloxy)-, methyl ester Methyl (3alpha,5alpha,7alpha,12alpha)-3,7,12-tris[(trimethylsilyl)oxy]cholan-24-oate Methyl 3.alpha.,7.alpha.,12.alpha.-trihydroxy-5.alpha.-cholanoate tristrimethylsilyl ether 3.alpha.,7.alpha.,12.alpha.-Trihydroxy-5.alpha.-cholanic acid, methyl ester, TMS (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID 1412506