Nombre del analito

21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxy-(11beta,17alphalpha)-Pregn-4-ene-3,20-dione

Número CAS

181229-50-5

Fórmula molecular

C25 H34 O8

Peso molecular

462.533

Masa exacta

462.225

SMILES

C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]4(C)C[C@H](O)[C@H]23

InChI

InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25+/m0/s1

IUPAC

4-[2-[(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat