2-(((3beta)-3-Hydroxy-24-oxochol-5-en-24-yl)amino)-Ethanesulfonic acid monosodium salt
[CAS# 17238-48-1]

Identification

• Name: 2-(((3beta)-3-Hydroxy-24-oxochol-5-en-24-yl)amino)-Ethanesulfonic acid monosodium salt
• Synonyms: Sodium 2-[[(4R)-4-[(3S,10R,13R,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Oxopentyl]Amino]Ethanesulfonate; Ethanesulfonic Acid, 2-(((3Beta)-3-Hydroxy-24-Oxochol-5-En-24-Yl)Amino)-, Monosodium Salt; Tauro-3Beta-Hydroxy-5-Cholenoate
• Molecular Formula: C₂₆H₄₂NNaO₅S
• Molecular Weight: 503.67
• CAS Registry Number: 17238-48-1
• SMILES: [C@]14([C@H](CCC1C2C([C@@]3(C(=CC2)C[C@@H](O)CC3)C)CC4)[C@@H](CCC(=O)NCC[S]([O-])(=O)=O)C)C.[Na+]
• InChI: 1S/C26H43NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h5,17,19-23,28H,4,6-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,19+,20?,21-,22?,23?,25+,26-;/m1./s1
• InChIKey: SVXBFWHRSNVSLG-ROVRTUHXSA-M