21-Deoxycortisone

CAS Registry Number®

1882-82-2
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CAS Name

21-Deoxycortisone

Molecular Formula

C21H28O4

Molecular Mass

344.44

Cite this Page

21-Deoxycortisone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1882-82-2 (retrieved 2024-04-25) (CAS RN: 1882-82-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    236-239 °C

  • Density (2)

    1.25 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=PUKLDDOGISCFCP-JSQCKWNTSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)(C(=O)C1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C1C=C2CCC3C(C(=O)CC4(C)C3CCC4(O)C(=O)C)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,11,20-trione, 17-hydroxy-
  • 17-Hydroxypregn-4-ene-3,11,20-trione
  • 6-Pregn-4-en-17α-ol-3,11,20-trione
  • 4-Pregnene-17α-ol-3,11,20-trione
  • 17α-Hydroxypregn-4-ene-3,11,20-trione

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