牛磺脱氧胆酸
taurodeoxycholic acid
taurochenodeoxycholic acid, Deoxycholyltaurine, 2-[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]pentanoylamino]ethanesulfonic acid, Tudcabil, Taurodeoxychloic Acid, [3H]-Deoxycholyltaurine, Taurodesoxycholic Acid, Deoxytaurocholic Acid, N-(3a,12a-Dihydroxy-5-cholan-24-oyl)taurine, 2-[[(3a,5,12)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic Acid
CAS号: 516-50-7
IUPAC名称: 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]ethanesulfonic acid
分子式: C26H45NO6S
分子量: 499.70400
InChI: InChI=1S/C26H45NO6S/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)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
InChIKey: AWDRATDZQPNJFN-VAYUFCLWSA-N
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]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
EINECS: -
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