Nome dell'analita

Obeticholic Acid Ethyl Ester

Numero CAS

459789-98-1

Formula molecolare

C28 H48 O4

Peso molecolare

448.678

Massa accurata

448.355

SMILES

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

InChI

InChI=1S/C28H48O4/c1-6-19-23-16-18(29)12-14-28(23,5)22-13-15-27(4)20(9-10-21(27)25(22)26(19)31)17(3)8-11-24(30)32-7-2/h17-23,25-26,29,31H,6-16H2,1-5H3/t17-,18-,19-,20-,21+,22+,23+,25+,26-,27-,28-/m1/s1

IUPAC

ethyl (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-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]pentanoate

Temperatura di spedizione

Room Temperature

Paese di origine

CANADA

Tipologia prodotto

Impurity

Formato del prodotto

Neat