Sodium taurodeoxycholate

• Synonyms: 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonic acid, monosodium salt
• IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
• Molecular Weight: 522.69
• Molecular Formula: C26H44NNaO6S
• SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
• InChI: InChI=1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1
• InChI Key: YXHRQQJFKOHLAP-FVCKGWAHSA-M
• Melting Point: 168 °C (dec.) (lit.)
• Purity: ≥97%
• Appearance: White to off-white solid
• Storage: Solid
• Exact Mass: 521.27870358
• Physical State: Freezer
• Shipping: Gel pack
• Subcategory: Cholesterols