16 alpha,17-[(1RS)-ethylidenebis(oxy)]-11 beta,21-dihydroxypregna-1,4-diene-3,20- dione

Analyte Name

16alpha,17-[(1RS)-ethylidenebis(oxy)]-11 beta,21-dihydroxypregna1,4-diene-3,20- dione

CAS Number

68293-08-3

Molecular Formula

C23 H30 O6

Molecular Weight

402.481

Accurate Mass

402.204

SMILES

C[C@@H]1OC2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

InChI

InChI=1S/C23H30O6/c1-12-28-19-9-16-15-5-4-13-8-14(25)6-7-21(13,2)20(15)17(26)10-22(16,3)23(19,29-12)18(27)11-24/h6-8,12,15-17,19-20,24,26H,4-5,9-11H2,1-3H3/t12-,15+,16+,17+,19?,20-,21+,22+,23-/m1/s1

IUPAC

(1S,2S,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Country of Origin

CANADA

Product Format

Neat