(7alpha,11alpha,17alpha)-11,17-Dihydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic Acid gamma-Lactone

Analyte Name

(7alpha,11alpha,17alpha)-11,17-Dihydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic Acid gamma-Lactone

CAS Number

209253-72-5

Molecular Formula

C23 H30 O6

Molecular Weight

402.481

Accurate Mass

402.204

SMILES

C[C@]12CCC(=O)C=C1C[C@H]([C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)C[C@@H](O)[C@H]23)C(=O)O

InChI

InChI=1S/C23H30O6/c1-21-6-3-13(24)9-12(21)10-14(20(27)28)18-15-4-7-23(8-5-17(26)29-23)22(15,2)11-16(25)19(18)21/h9,14-16,18-19,25H,3-8,10-11H2,1-2H3,(H,27,28)/t14-,15+,16-,18+,19+,21+,22+,23-/m1/s1

IUPAC

(7R,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat