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Chenodeoxycholic acid N-benzylamide
SpectraBase Compound ID 6SzLyW2pDTt
InChI InChI=1S/C31H47NO3/c1-20(9-12-28(35)32-19-21-7-5-4-6-8-21)24-10-11-25-29-26(14-16-31(24,25)3)30(2)15-13-23(33)17-22(30)18-27(29)34/h4-8,20,22-27,29,33-34H,9-19H2,1-3H3,(H,32,35)/t20-,22?,23-,24-,25+,26+,27-,29+,30+,31-/m1/s1
InChIKey YJXVFRWCHMYWTD-ULZPYFSESA-N
Mol Weight 481.7 g/mol
Molecular Formula C31H47NO3
Exact Mass 481.355594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNmumSjQSS7
Name Chenodeoxycholic acid N-benzylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H47NO3
InChI InChI=1S/C31H47NO3/c1-20(9-12-28(35)32-19-21-7-5-4-6-8-21)24-10-11-25-29-26(14-16-31(24,25)3)30(2)15-13-23(33)17-22(30)18-27(29)34/h4-8,20,22-27,29,33-34H,9-19H2,1-3H3,(H,32,35)/t20-,22?,23-,24-,25+,26+,27-,29+,30+,31-/m1/s1
InChIKey YJXVFRWCHMYWTD-ULZPYFSESA-N
Molecular Weight 481.721 g/mol
SMILES O[C@@]1(CC[C@]2(C(C[C@]([C@]3([C@]4([C@@]([C@@]([C@@](CCC(NCc5ccccc5)=O)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])(O)[H])C1)C)[H]
SPLASH splash10-0005-6910200000-1e4fc9d3bfde3c71a397
Source of Spectrum JC-562-711-0
Synonyms (3alpha,7alpha)-N-benzyl-3,7-dihydroxycholan-24-amide
Wiley ID 1395450