Obeticholic Acid Dimer Impurity

CAT No.

ALN-O019009

CAS No.

Mol. F.

C52H86O7

Mol. Wt.

823.3

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Product Overview

Chemical Name : 3a(3a,7a-dihydroxy-6a-ethyl-5b-cholan-24-oyloxy)7a-hydroxy-6a- ethyl-5b-cholan-24-oic acid ; (4R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-(((4R)-4-((3S,6S,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Smiles : C[C@H](CCC(O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](OC(CC[C@@H](C)[C@H]5CC[C@@]6([H])[C@]7([H])[C@@H](O)[C@@H](CC)C8C[C@@H](O)CC[C@]8(C)[C@@]7([H])CC[C@]56C)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

Inchi : InChI=1S/C30H48O5/c1-7-20-24-17-19(35-25(31)8-2)13-15-30(24,5)23-14-16-29(4)21(18(3)9-12-26(32)34-6)10-11-22(29)27(23)28(20)33/h18-24,27H,7-17H2,1-6H3/t18-,19-,20-,21-,22+,23+,24+,27+,29-,30-/m1/s1

Technical Data