11Beta,17,20Beta,21-Tetrahydroxypregna-1,4-dien-3-one 21-Acetate

Analyte Name

11beta,17,20beta,21-Tetrahydroxypregna-1,4-dien-3-one 21-Acetate

CAS Number

96346-38-2

Molecular Formula

C23H32O6

Molecular Weight

404.5

Accurate Mass

404.22

SMILES

[H][C@]12[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]1(C)[C@]([C@H](O)COC(C)=O)(O)CC2)=O

InChI

InChI=1S/C23H32O6/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/h6,8,10,16-20,26-28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,19+,20+,21?,22?,23-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat