Nombre del analito

Allopregnandiol 20-(Hydrogen Sulfate) Sodium Salt

Número CAS

215855-82-6

Fórmula molecular

C21 H35 O5 S . Na

Peso molecular

422.554

Masa exacta

422.211

SMILES

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

InChI

InChI=1S/C21H36O5S.Na.H/c1-13(26-27(23,24)25)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3;;/h13-19,22H,4-12H2,1-3H3,(H,23,24,25);;/p-1/t13-,14+,15+,16+,17-,18+,19+,20+,21-;;/m1../s1

IUPAC

[(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] sulfate;sodium hydride

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat