Analyte Name

N-[(3beta,7alpha)-7-Hydroxy-24-oxo-3-(sulfooxy)chol-5-en-24-yl]glycine Disodium Salt

CAS Number

1638974-20-5

Molecular Formula

C26H39NNa2O8S

Molecular Weight

571.64

Accurate Mass

571.22

SMILES

O[C@@H]1C=C2C[C@@H](OS(=O)(O[Na])=O)CC[C@]2([H])C3[C@]1([H])[C@@](CCC4[C@H](C)CCC(NCC(O[Na])=O)=O)([H])[C@]4([H])CC3

InChI

InChI=1S/C26H41NO8S.2Na/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28;;/h13,15,17-21,24,28H,4-12,14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/t15-,17+,18-,19+,20+,21-,24+,25+,26-;;/m1../s1

IUPAC

sodium ((R)-4-((3S,7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-(sulfonatooxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycinate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat