11beta,21-Dihydroxy-3,20-allopregnanedione 21-Acetate

Analyte Name

11beta,21-Dihydroxy-3,20-allopregnanedione 21-Acetate

CAS Number

884311-46-0

Molecular Formula

C23 H34 O5

Molecular Weight

390.513

Accurate Mass

390.241

SMILES

CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

InChI

InChI=1S/C23H34O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h14,16-19,21,26H,4-12H2,1-3H3/t14-,16-,17+,18+,19-,21+,22-,23-/m0/s1

IUPAC

[2-[(5S,8S,9S,10S,11S,13S,14R,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat