Obeticholic acid

Dzina la Chemical:

(R) -4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R) -6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a ]phenanthren-17-yl)pentanoic acid

SMILES Kodi:

C[C@H](CCC(O)=O)[C@H]1CC[C@]2([C@@]3([C@@H]([C@@H]([C@] @]4(C[C@@H](CC[C@@]4([C@]3(CC[C@]12C)[H])C)O)[H])CC)O)[ H]) [H]

InChi kodi:

InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9- 22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29 )/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1

InChi Key:

ZXERDUOLZKYMJM-ZWECCWDJSA-N

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Cholinga: FXR