Pregn-4-ene-3,20-dione, 6-fluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16α)-

CAS Registry Number®

387-59-7

CAS Name

Pregn-4-ene-3,20-dione, 6-fluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16α)-

Molecular Formula

C22H31FO5

Molecular Mass

394.48

Cite this Page

Pregn-4-ene-3,20-dione, 6-fluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=387-59-7 (retrieved 2024-11-24) (CAS RN: 387-59-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H31FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h7,11,13-14,16-17,19,24,26,28H,4-6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1

InChIKey

InChIKey=JXOONFORBFAKIN-AFYJWTTESA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@@H](F)C3)=CC(=O)CC4)([C@@H](O)C1)[H])[H])(C[C@@H](C)[C@@]2(C(CO)=O)O)[H]

Canonical SMILES

O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C3C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 6-fluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16α)-
  • Pregn-4-ene-3,20-dione, 6α-fluoro-11β,17,21-trihydroxy-16α-methyl-
  • 6α-Fluoro-16α-methyl-Δ4-pregnene-11,17,21-triol-3,20-dione