| SpectraBase Compound ID | FcBSj2vTMlF |
|---|---|
| InChI | InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17?,18?,19?,20?,22?,23-,24+,25-,26-/m1/s1 |
| InChIKey | XSOLDPYUICCHJX-QZWOQUDZSA-N |
| Mol Weight | 515.7 g/mol |
| Molecular Formula | C26H45NO7S |
| Exact Mass | 515.291674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DQxSu4oa2gS |
|---|---|
| Name | Taurohyocholate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H45NO7S |
| InChI | InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17?,18?,19?,20?,22?,23-,24+,25-,26-/m1/s1 |
| InChIKey | XSOLDPYUICCHJX-QZWOQUDZSA-N |
| Molecular Weight | 515.706 g/mol |
| SMILES | O[C@@]1(CC[C@@]2(C3CC[C@@]4(C([C@@](CCC(NCCS(=O)(=O)O)=O)(C)[H])CCC4C3[C@@]([C@@](C2C1)(O)[H])(O)[H])C)C)[H] |
| SPLASH | splash10-000i-8950000000-3bc42e7239a7f8e3cabb |
| Source of Spectrum | SWG-33-4728-0 |
| Synonyms | Taurohyocholic acid N-(3.alpha.,6.alpha.,7.alpha.-Trihydroxy-5.beta.-cholan-24-oyl)-taurine 2-((4R)-4-((3R,6R,7S,10R,13R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid |
| Wiley ID | 1811322 |