Analyte Name

N-[(3beta)-24-Oxo-3-(sulfooxy)chol-5-en-24-yl]-glycine Disodium Salt

CAS Number

89238-67-5

Molecular Formula

C26 H39 N Na2 O7 S

Molecular Weight

555.635

Accurate Mass

555.224

SMILES

C[C@H](CCC(=O)NCC(=O)O[Na])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O[Na]

InChI

InChI=1S/C26H41NO7S.2Na/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3;;/h5,16,18-22H,4,6-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33);;/q;2*+1/p-2/t16-,18+,19+,20-,21+,22+,25+,26-;;/m1../s1

IUPAC

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-oxo-5-[(2-oxo-2-sodiooxyethyl)amino]pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysulfonyloxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat