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Cholan-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-
SpectraBase Compound ID 4RjePxId76n
InChI InChI=1S/C31H58O4Si2/c1-21(11-14-28(32)33-4)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(34-36(5,6)7)19-22(30)20-27(29)35-37(8,9)10/h21-27,29H,11-20H2,1-10H3/t21-,22?,23-,24-,25+,26+,27-,29+,30+,31-/m1/s1
InChIKey FUVKOFYYHKWFJK-SWNTUXKHSA-N
Mol Weight 551.0 g/mol
Molecular Formula C31H58O4Si2
Exact Mass 550.387363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L08Tw4IHLc3
Name Cholan-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-
Alternate Name(s) Methyl 3,7-bis[(trimethylsilyl)oxy]cholan-24-oate Methyl 3.beta.,7.beta.-bis(trimethylsiloxy)-5.beta.-cholan-24-oate Bis TMS ether of methyl chenodeoxycholate Methyl 3beta,7.beta.-bis(trimethylsiloxy)-5.beta.-cholan-24-oate Cholan-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, methyl ester, (3alpha,5beta,7alpha)- Methyl (3alpha,7alpha)-3,7-bis[(trimethylsilyl)oxy]cholan-24-oate
CAS Registry Number 78964-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H58O4Si2
InChI InChI=1S/C31H58O4Si2/c1-21(11-14-28(32)33-4)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(34-36(5,6)7)19-22(30)20-27(29)35-37(8,9)10/h21-27,29H,11-20H2,1-10H3/t21-,22?,23-,24-,25+,26+,27-,29+,30+,31-/m1/s1
InChIKey FUVKOFYYHKWFJK-SWNTUXKHSA-N
Molecular Weight 550.971 g/mol
SMILES [C@@]12([C@]([C@@]3([C@@](CC4[C@@]([C@]3(CC2)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)(O[Si](C)(C)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C
SPLASH splash10-074i-0089300000-2be2be1133dcd64c2db0
Source of Spectrum W5-1989-36038-29498
Wiley ID 1405747