For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cholan-24-oic acid, 3,7-bis[(ethyldimethylsilyl)oxy]-, ethyl ester, (3.alpha.,5.beta.,7.alpha.)-
SpectraBase Compound ID HeKaBR8S1MJ
InChI InChI=1S/C34H64O4Si2/c1-11-36-31(35)17-14-24(4)27-15-16-28-32-29(19-21-34(27,28)6)33(5)20-18-26(37-39(7,8)12-2)22-25(33)23-30(32)38-40(9,10)13-3/h24-30,32H,11-23H2,1-10H3/t24-,25+,26-,27-,28+,29+,30-,32+,33+,34-/m1/s1
InChIKey CLYMMZAZTADQQH-NALGWUQGSA-N
Mol Weight 593.1 g/mol
Molecular Formula C34H64O4Si2
Exact Mass 592.434314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 68rrqVVVU0Q
Name Cholan-24-oic acid, 3,7-bis[(ethyldimethylsilyl)oxy]-, ethyl ester, (3.alpha.,5.beta.,7.alpha.)-
CAS Registry Number 69519-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H64O4Si2
InChI InChI=1S/C34H64O4Si2/c1-11-36-31(35)17-14-24(4)27-15-16-28-32-29(19-21-34(27,28)6)33(5)20-18-26(37-39(7,8)12-2)22-25(33)23-30(32)38-40(9,10)13-3/h24-30,32H,11-23H2,1-10H3/t24-,25+,26-,27-,28+,29+,30-,32+,33+,34-/m1/s1
InChIKey CLYMMZAZTADQQH-NALGWUQGSA-N
Molecular Weight 593.052 g/mol
SMILES [C@@]12([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O[Si](CC)(C)C)(C4)[H])C)[H])(O[Si](CC)(C)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OCC)(C)[H])[H])[H])C
SPLASH splash10-052r-0029400000-af330976f4a7fe2a679b
Source of Spectrum JC-488-320-0
Synonyms Ethyl 3.alpha.,7.alpha.-bis(dimethylethylsilyloxy)-5.beta.-cholanoate Chenodeoxycholic acid ethyl ester dimethylethylsilyl ether Ethyl (3alpha,5beta,7alpha)-3,7-bis{[ethyl(dimethyl)silyl]oxy}cholan-24-oate
Wiley ID 1409511