(6α)-17-(Acetyloxy)-6-(trifluoromethyl)pregn-4-ene-3,20-dione

CAS Registry Number®

987-18-8
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CAS Name

(6α)-17-(Acetyloxy)-6-(trifluoromethyl)pregn-4-ene-3,20-dione

Molecular Formula

C24H31F3O4

Molecular Mass

440.50

Cite this Page

(6α)-17-(Acetyloxy)-6-(trifluoromethyl)pregn-4-ene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=987-18-8 (retrieved 2024-04-24) (CAS RN: 987-18-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C24H31F3O4/c1-13(28)23(31-14(2)29)10-7-18-16-12-20(24(25,26)27)19-11-15(30)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1

InChIKey

InChIKey=MXZYUFNILISKBC-WXLIAARGSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C([C@@H]([C@@](F)(F)F)C3)=CC(=O)CC4)[H])[H])(CC[C@]2(OC(C)=O)C(C)=O)[H]

Canonical SMILES

O=C(OC1(C(=O)C)CCC2C3CC(C4=CC(=O)CCC4(C)C3CCC21C)C(F)(F)F)C

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-(trifluoromethyl)-, (6α)-
  • Pregn-4-ene-3,20-dione, 17-hydroxy-6α-(trifluoromethyl)-, acetate
  • (6α)-17-(Acetyloxy)-6-(trifluoromethyl)pregn-4-ene-3,20-dione
  • 6α-Trifluoromethyl-17α-acetoxyprogesterone
  • Flumedroxone acetate

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