16α-Hydroxy Prednisolone-9(11)-ene Acetate

77017-20-0

CAS Name

(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione

Molecular Formula

C₂₃H₂₈O₆

Molecular Mass

400.46

Compound Properties

• Melting Point (1)

  213-215 °C

Source(s)

• (1) Schaub, Robert E.; Journal of the American Chemical Society, (1959), 81, 4962-8, CAplus

Other Names and Identifiers

InChI

InChI=1S/C23H28O6/c1-13(24)29-12-20(27)23(28)19(26)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h6-8,10,16,18-19,26,28H,4-5,9,11-12H2,1-3H3/t16-,18+,19-,21+,22+,23+/m1/s1

InChIKey

InChIKey=LUROGHOZLOFASD-ZPDKUKPCSA-N

SMILES

C[C@@]12[C@]([C@]3(C(=CC1)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])(C[C@@H](O)[C@@]2(C(COC(C)=O)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2=CCC4(C)C3CC(O)C4(O)C(=O)COC(=O)C)C

Other Names for this Substance