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TMS ester of cholanic acid
SpectraBase Compound ID GAyWvwM3Kqe
InChI InChI=1S/C27H48O2Si/c1-19(10-15-25(28)29-30(4,5)6)22-13-14-23-21-12-11-20-9-7-8-17-26(20,2)24(21)16-18-27(22,23)3/h19-24H,7-18H2,1-6H3/t19-,20?,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey AYTLBAOLKFMHRJ-WOEDOHCHSA-N
Mol Weight 432.8 g/mol
Molecular Formula C27H48O2Si
Exact Mass 432.342357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52tUbnQLUnh
Name TMS ester of cholanic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O2Si
InChI InChI=1S/C27H48O2Si/c1-19(10-15-25(28)29-30(4,5)6)22-13-14-23-21-12-11-20-9-7-8-17-26(20,2)24(21)16-18-27(22,23)3/h19-24H,7-18H2,1-6H3/t19-,20?,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey AYTLBAOLKFMHRJ-WOEDOHCHSA-N
Molecular Weight 432.764 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(CC[C@@]1([C@@](CCC(O[Si](C)(C)C)=O)(C)[H])[H])[H])C
SPLASH splash10-0159-7780900000-8ed2ef02b23dd92a34d5
Source of Spectrum KO-19-510-3
Synonyms Trimethylsilyl 5..beta.-cholan-24-oate Trimethylsilyl cholan-24-oate
Wiley ID 1382476