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TAURODEOXYCHOLIC-ACID;Y-1-B
SpectraBase Compound ID G8cIyGsn84O
InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
InChIKey BHTRKEVKTKCXOH-LBSADWJPSA-N
Mol Weight 499.7 g/mol
Molecular Formula C26H45NO6S
Exact Mass 499.296759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLwElX7S1gU
Name TAURODEOXYCHOLIC-ACID;Y-1-B
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H45NO6S
InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
InChIKey BHTRKEVKTKCXOH-LBSADWJPSA-N
Literature Reference Author S.YAMAGUCHI,Z.Z.QIAN,T.NOHARA
Literature Reference Citation CHEM.PHARM.BULL.,46,1653(1998)
Literature Reference DOI 10.1248/cpb.46.1653
Molecular Weight 499.706 g/mol
Solvent C5D5N
Source File Reference UWMS20764