Nombre del analito

7-Sulfocholic Acid Disodium

Número CAS

58822-35-8

Fórmula molecular

C24 H38 O8 S . 2Na

Peso molecular

532.6

Masa exacta

532.21

SMILES

O=C(CC[C@H]([C@@]1([H])CC[C@@]([H])([C@@]2([C@@H](C[C@@]3(C[C@@H](CC[C@@]3([C@]2(C[C@@H]4O)[H])C)O)[H])OS(=O)(O[Na])=O)[H])[C@@]14C)C)O[Na]

InChI

InChI=1S/C24H40O8S.2Na/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31;;/h13-20,22,25-26H,4-12H2,1-3H3,(H,27,28)(H,29,30,31);;/q;2*+1/p-2/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;;/m1../s1

IUPAC

sodium (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-(sulfonatooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Alternar número CAS

Free Acid: 60320-05-0

Temperatura de almacenamiento

-20°C

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat

Analytical Method

HPLC