牛磺胆酸钠盐 水合
Taurocholic acid sodium salt hydrate
N-(3,7,12-三羟基-24-羰基胆烷-24-基)-牛磺酸钠盐
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牛磺胆酸钠
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牛磺胆酸钠水合物, Taurocholic Acid,Sodium Salt Hydrate, Cholaic Acid SodiuM Salt Hydrate, 2-[(3α,7α,12α-Trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid, Taurocholic acid,sodiuM salt hydrate 1GR, Taurocholic acid,sodium salt hydrate, Taurocholic acid hydrate sodium salt, N-Choloyltauri, Taurocholic acid sodium salt, Sodium taurocholate hydrate, 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide, Cholyltaurine SodiuM Salt Hydrate, Taurocholic acid, Taurocholic acid,sodiuM salt hydrate 5GR, TAUROCHOLIC ACID SOD
CAS号: 345909-26-4
IUPAC名称: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]ethanesulfonate;hydrate
分子式: C26H45NO7S.xH2O.Na
分子量: 555.70000
InChI: InChI=1S/C26H45NO7S.Na.H2O/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);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1
InChIKey: RDAJAQDLEFHVNR-NEMAEHQESA-M
SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+]
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