Analyte Name

2-((4R)-4-((3R,5R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic Acid Trimethylamine Salt

Molecular Formula

C26H45NO8S2 . C3H9N

Molecular Weight

622.88

Accurate Mass

622.33

SMILES

CN(C)C.C[C@@H]([C@H]1CC[C@@]2([H])C3CC[C@]4([H])C[C@H](OS(=O)(O)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)CCC(NCCS(=O)(O)=O)=O

InChI

InChI=1S/C26H45NO8S2.C3H9N/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3;1-4(2)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34);1-3H3/t17-,18-,19-,20?,21-,22+,23+,25+,26-;/m1./s1

IUPAC

2-((4R)-4-((3R,5R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic Acid trimethylamine

Alternate CAS Number

15324-65-9

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat