Nombre del analito

Aldosterone 7[9-((4,4-Difluoropentyl)sulfinyl)nonan-1-ide]

Fórmula molecular

C35H54F2O6S

Peso molecular

640.87

Masa exacta

640.36

SMILES

O=C1CC[C@@]2(C)C(C[C@@H](CCCCCCCCCS(CCCC(F)(F)C)=O)[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C=O)[C@@]3([H])CC[C@@H]4C(CO)=O)=C1

InChI

InChI=1S/C35H54F2O6S/c1-33-16-14-26(40)20-25(33)19-24(11-8-6-4-3-5-7-9-17-44(43)18-10-15-34(2,36)37)31-28-13-12-27(30(42)22-38)35(28,23-39)21-29(41)32(31)33/h20,23-24,27-29,31-32,38,41H,3-19,21-22H2,1-2H3/t24-,27-,28+,29+,31+,32+,33+,35+,44?/m1/s1

IUPAC

(7R,8S,9S,10R,11S,13R,14S,17S)-7-(9-((4,4-difluoropentyl)sulfinyl)nonyl)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-13H-cyclopenta[a]phenanthrene-13-carbaldehyde

País de origen

CANADA

Formato del producto

Neat