Analytenname

12-Hydroxy Taurolithocholic Acid Sulfate Disodium Salt

CAS-Nummer

66874-07-5

Molekularformel

C26H43NNa2O9S2

Molekulargewicht

623.73

Genaue Masse

623.2175

SMILES

[Na+].[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OS(=O)(=O)[O-]

InChI

InChI=1S/C26H45NO9S2.2Na/c1-16(4-9-24(29)27-12-13-37(30,31)32)20-7-8-21-19-6-5-17-14-18(36-38(33,34)35)10-11-25(17,2)22(19)15-23(28)26(20,21)3;;/h16-23,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1

IUPAC

disodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate

Abweichende CAS-Nummer

free acid: 67030-58-4

Lagertemperatur

-20°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat