Nombre del analito

4-(Carboxymethylthio)-18-oxocortisol

Fórmula molecular

C23 H30 O8 S

Peso molecular

466.545

Masa exacta

466.166

SMILES

C[C@]12CCC(=O)C(=C1CC[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/c1-21-6-5-15(26)20(32-10-18(29)30)14(21)3-2-12-13-4-7-23(31,17(28)9-24)22(13,11-25)8-16(27)19(12)21/h11-13,16,19,24,27,31H,2-10H2,1H3,(H,29,30)/t12-,13-,16-,19+,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-4-yl]sulfanyl]acetic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

Bioactive Small Molecule

Formato del producto

Neat