17-hydroxy-3,20-dioxopregna-4,9(11)-dien-21-yl succinate

Analyte Name

17-hydroxy-3,20-dioxopregna-4,9(11)-dien-21-yl succinate

CAS Number

103497-66-1

Molecular Formula

C25 H32 O7

Molecular Weight

444.517

Accurate Mass

444.215

SMILES

C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O

InChI

InChI=1S/C25H32O7/c1-23-10-7-16(26)13-15(23)3-4-17-18(23)8-11-24(2)19(17)9-12-25(24,31)20(27)14-32-22(30)6-5-21(28)29/h8,13,17,19,31H,3-7,9-12,14H2,1-2H3,(H,28,29)/t17-,19+,23+,24+,25+/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat