![TAUROANSOCHOLIC-ACID;3-ALPHA,5,7-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID-N-[2-SULFOETHYL]-AMIDE](/api/spectrum/8o5UyxqhZ0v/structure.png?h=300&w=458 "TAUROANSOCHOLIC-ACID;3-ALPHA,5,7-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID-N-[2-SULFOETHYL]-AMIDE")
| SpectraBase Compound ID | EL8XTfw79ka |
|---|---|
| InChI | InChI=1S/C26H45NO7S/c1-16(4-7-22(30)27-12-13-35(32,33)34)18-5-6-19-23-20(9-10-24(18,19)2)25(3)11-8-17(28)14-26(25,31)15-21(23)29/h16-21,23,28-29,31H,4-15H2,1-3H3,(H,27,30)(H,32,33,34)/t16-,17-,18-,19+,20+,21-,23+,24-,25-,26-/m1/s1 |
| InChIKey | UHIONWYNIJOLRG-LODPQUFVSA-N |
| Mol Weight | 515.7 g/mol |
| Molecular Formula | C26H45NO7S |
| Exact Mass | 515.291674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8o5UyxqhZ0v |
|---|---|
| Name | TAUROANSOCHOLIC-ACID;3-ALPHA,5,7-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID-N-[2-SULFOETHYL]-AMIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H45NO7S |
| InChI | InChI=1S/C26H45NO7S/c1-16(4-7-22(30)27-12-13-35(32,33)34)18-5-6-19-23-20(9-10-24(18,19)2)25(3)11-8-17(28)14-26(25,31)15-21(23)29/h16-21,23,28-29,31H,4-15H2,1-3H3,(H,27,30)(H,32,33,34)/t16-,17-,18-,19+,20+,21-,23+,24-,25-,26-/m1/s1 |
| InChIKey | UHIONWYNIJOLRG-LODPQUFVSA-N |
| Literature Reference Author | D.BI,X.Y.CHAI,Y.L.SONG,Y.LEI,P.F.TU |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,528(2009) |
| Literature Reference DOI | 10.1248/cpb.57.528 |
| Molecular Weight | 515.706 g/mol |
| Sample ID | 2319 |
| Solvent | CD3OD |