Nombre del analito

6-(Carboxymethylthio)-18-oxocortisol

Fórmula molecular

C23 H30 O8 S

Peso molecular

466.545

Masa exacta

466.166

SMILES

C[C@]12CCC(=O)C=C1C(C[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@]4(C[C@H](O)[C@H]23)C=O)SCC(=O)O

InChI

InChI=1S/C23H30O8S/c1-21-4-2-12(26)6-15(21)17(32-10-19(29)30)7-13-14-3-5-23(31,18(28)9-24)22(14,11-25)8-16(27)20(13)21/h6,11,13-14,16-17,20,24,27,31H,2-5,7-10H2,1H3,(H,29,30)/t13-,14-,16-,17?,20+,21-,22+,23-/m0/s1

IUPAC

2-[[(8S,9S,10R,11S,13R,14S,17R)-13-formyl-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl]sulfanyl]acetic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat