Analyte Name

3beta,17,21-Trihydroxy-5alpha-Pregnane-11,20-dione 21-Acetate

CAS Number

1856-12-8

Molecular Formula

C23 H34 O6

Molecular Weight

406.512

Accurate Mass

406.236

SMILES

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

InChI

InChI=1S/C23H34O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14-17,20,25,28H,4-12H2,1-3H3/t14-,15-,16-,17-,20+,21-,22-,23-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat