Pregna-4,6,16-triene-3,20-dione, 16-methyl-

CAS Registry Number®

6723-96-2
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CAS Name

Pregna-4,6,16-triene-3,20-dione, 16-methyl-

Molecular Formula

C22H28O2

Molecular Mass

324.46

Cite this Page

Pregna-4,6,16-triene-3,20-dione, 16-methyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6723-96-2 (retrieved 2024-04-23) (CAS RN: 6723-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217-218 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h5-6,12,17-19H,7-11H2,1-4H3/t17-,18+,19+,21+,22+/m1/s1

InChIKey

InChIKey=GXCCXTDWPQEUFF-LJCDUQBNSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)CC4)(CC1)[H])[H])(CC(C)=C2C(C)=O)[H]

Canonical SMILES

O=C1C=C2C=CC3C4CC(=C(C(=O)C)C4(C)CCC3C2(C)CC1)C

Other Names for this Substance

  • Pregna-4,6,16-triene-3,20-dione, 16-methyl-
  • 16-Methyl-4,6,16-pregnatriene-3,20-dione

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