Deoxycorticosterone acetate

CAS Registry Number®

56-47-3

CAS Name

Deoxycorticosterone acetate

Molecular Formula

C23H32O4

Molecular Mass

372.50

Cite this Page

Deoxycorticosterone acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56-47-3 (retrieved 2024-11-22) (CAS RN: 56-47-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1

InChIKey

InChIKey=VPGRYOFKCNULNK-ACXQXYJUSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@H]2C(COC(C)=O)=O)[H]

Canonical SMILES

O=C(OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-
  • 11-Deoxycorticosterone, acetate
  • Pregn-4-ene-3,20-dione, 21-hydroxy-, acetate
  • 21-(Acetyloxy)pregn-4-ene-3,20-dione
  • 21-Acetoxy-3,20-diketopregn-4-ene

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Deleted or Replaced CAS Registry Numbers

39282-34-3, 106111-90-4, 2055762-58-6