sodium taurocholate

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IUPAC Name :2-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonate
InChI :InChI=1/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15?,16?,17-,18?,19?,20?,21-,22+,24?,25?,26?;/m1./s1
Std.InChI: InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15?,16?,17-,18?,19?,20?,21-,22+,24?,25?,26?;/m1./s1
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InChIKey :JAJWGJBVLPIOOH-LDFJHORBBN
Std.InChIKey: JAJWGJBVLPIOOH-DTEHXYMQSA-M
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SMILES :CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1([C@H](CC3C2[C@@H](CC4C3(CC[C@H](C4)O)C)O)O)C.[Na+]
MDL: MFCD00013050