| 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
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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 |