Obeticholic Acid Acyl-b-D-glucuronide

Product Name Obeticholic Acid Acyl-b-D-glucuronide
Alternate Names Obeticholic Acid Glucuronides, Glucuronides of Obeticholic Acid
CAT No. CS-T-93351
CAS No. 2270232-93-2
Category Glucuronides
Stock Enquire
Mol. Wt. 596.75 g/mol
Mol. For. C32H52O10
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Obeticholic Acid
Smileys C[C@@]([C@]1([H])[C@@H](CC)[C@H]2O)(CC[C@@H](O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O3)O)O)O)C1)[C@]4([H])[C@]2([H])[C@@](CC[C@]5([H])[C@H](C)CCC(O)=O)([H])[C@]5(C)CC4
Canonical Smiles CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)OC5C(C(C(C(O5)C(=O)O)O)O)O
InchIKey LUPCZPBQZKHSGM-QGDCDQHMSA-N
Inchl InChI=1S/C32H52O10/c1-5-17-21-14-16(41-30-27(38)25(36)26(37)28(42-30)29(39)40)10-12-32(21,4)20-11-13-31(3)18(15(2)6-9-22(33)34)7-8-19(31)23(20)24(17)35/h15-21,23-28,30,35-38H,5-14H2,1-4H3,(H,33,34)(H,39,40)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25+,26+,27-,28+,30-,31-,32-/m1/s1
IUPAC (2S,3S,4S,5R,6R)-6-[[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-6-ethyl-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Controlled No
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Related Compounds

Obeticholic Acid Acyl-b-D-glucuronide |

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