(3beta,5beta)-3-[(4-Nitrobenzoyl)oxy]-cholan-24-oic Acid

Analyte Name

(3beta,5beta)-3-[(4-Nitrobenzoyl)oxy]-cholan-24-oic Acid

CAS Number

1821432-26-1

Molecular Formula

C31 H43 N O6

Molecular Weight

525.676

Accurate Mass

525.309

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccc(cc5)[N+](=O)[O-]

InChI

InChI=1S/C31H43NO6/c1-19(4-13-28(33)34)25-11-12-26-24-10-7-21-18-23(14-16-30(21,2)27(24)15-17-31(25,26)3)38-29(35)20-5-8-22(9-6-20)32(36)37/h5-6,8-9,19,21,23-27H,4,7,10-18H2,1-3H3,(H,33,34)/t19-,21-,23+,24+,25-,26+,27+,30+,31-/m1/s1

IUPAC

(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(4-nitrobenzoyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat