Analyte Name

Cholic Acid AMCA Blue Amide

CAS Number

2306447-10-7

Molecular Formula

C36 H49 N O8

Molecular Weight

623.776

Accurate Mass

623.346

SMILES

C[C@H](CCC(=O)Nc1ccc2C(=C(CC(=O)O)C(=O)Oc2c1)C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C

InChI

InChI=1S/C36H49NO8/c1-18(5-10-31(41)37-21-6-7-23-19(2)24(16-32(42)43)34(44)45-29(23)15-21)25-8-9-26-33-27(17-30(40)36(25,26)4)35(3)12-11-22(38)13-20(35)14-28(33)39/h6-7,15,18,20,22,25-28,30,33,38-40H,5,8-14,16-17H2,1-4H3,(H,37,41)(H,42,43)/t18-,20+,22-,25-,26+,27+,28-,30+,33+,35+,36-/m1/s1

IUPAC

2-[4-methyl-2-oxo-7-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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]chromen-3-yl]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat