Analyte Name

N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]-glycine Ethyl Ester

CAS Number

70779-05-4

Molecular Formula

C28H47NO5

Molecular Weight

477.68

Accurate Mass

477.3454

SMILES

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

InChI

InChI=1S/C28H47NO5/c1-5-34-25(33)16-29-24(32)9-6-17(2)20-7-8-21-26-22(11-13-28(20,21)4)27(3)12-10-19(30)14-18(27)15-23(26)31/h17-23,26,30-31H,5-16H2,1-4H3,(H,29,32)/t17-,18+,19-,20-,21+,22+,23-,26+,27+,28-/m1/s1

IUPAC

ethyl 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-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]pentanoyl]amino]acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat