Analyte Name

21-(3-Carboxy-1-oxopropoxy)-6Beta,11Beta,17-trihydroxypregn-4-ene-3,20-dione

CAS Number

77106-62-8

Molecular Formula

C25 H34 O9

Molecular Weight

478.532

Accurate Mass

478.22

SMILES

C[C@]12CCC(=O)C=C1[C@H](O)C[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/C25H34O9/c1-23-7-5-13(26)9-16(23)17(27)10-14-15-6-8-25(33,24(15,2)11-18(28)22(14)23)19(29)12-34-21(32)4-3-20(30)31/h9,14-15,17-18,22,27-28,33H,3-8,10-12H2,1-2H3,(H,30,31)/t14-,15-,17+,18-,22+,23-,24-,25-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat