Analyte Name

Methyl (3beta,5beta,7alpha,12alpha)-7,12-Dihydroxy-3-[(1-oxoeicosyl)amino]-cholan-24-oic Acid Ester

CAS Number

246529-32-8

Molecular Formula

C45 H81 N O5

Molecular Weight

716.128

Accurate Mass

715.611

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)[C@@H](O)C[C@H]23)C1

InChI

InChI=1S/C45H81NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-41(49)46-35-28-29-44(3)34(30-35)31-39(47)43-37-26-25-36(33(2)24-27-42(50)51-5)45(37,4)40(48)32-38(43)44/h33-40,43,47-48H,6-32H2,1-5H3,(H,46,49)/t33-,34+,35+,36-,37+,38+,39-,40+,43+,44+,45-/m1/s1

IUPAC

methyl (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-(icosanoylamino)-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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat