Analytenname

Tauro-7alpha,12alpha-dihydroxy-3-oxo-4-cholenoic Acid Sodium Salt

Molekularformel

C26 H40 N Na O7 S

Molekulargewicht

533.653

Genaue Masse

533.242

SMILES

C[C@H](CCC(=O)NCCS(=O)(=O)O[Na])[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI

InChI=1S/C26H41NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h12,15,18-22,24,29-30H,4-11,13-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1

IUPAC

2-[[(4R)-4-[(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethylsulfonyloxysodium

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat