Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,18-epoxy-18-hydroxy-, (11β)-

CAS Registry Number®

2827-21-6

CAS Name

Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,18-epoxy-18-hydroxy-, (11β)-

Molecular Formula

C23H30O6

Molecular Mass

402.48

Cite this Page

Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,18-epoxy-18-hydroxy-, (11β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2827-21-6 (retrieved 2024-11-22) (CAS RN: 2827-21-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-192 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H30O6/c1-12(24)28-11-18(26)17-6-5-16-15-4-3-13-9-14(25)7-8-22(13,2)20(15)19-10-23(16,17)21(27)29-19/h9,15-17,19-21,27H,3-8,10-11H2,1-2H3/t15-,16-,17+,19-,20+,21?,22-,23+/m0/s1

InChIKey

InChIKey=JUHQUIOIVOVZQG-XNEAOMTKSA-N

SMILES

C(COC(C)=O)(=O)[C@@H]1[C@]23[C@]([C@]4([C@]([C@](C2)(OC3O)[H])([C@]5(C)C(CC4)=CC(=O)CC5)[H])[H])(CC1)[H]

Canonical SMILES

O=C(OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C5OC(O)C12C5)C

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,18-epoxy-18-hydroxy-, (11β)-
  • Aldosterone, 21-acetate
  • 11,13-(Epoxymethano)-13H-cyclopenta[a]phenanthrene, pregn-4-ene-3,20-dione deriv.
  • Aldosterone 21-monoacetate

Deleted or Replaced CAS Registry Numbers

27452-61-5

CAS INSIGHTSTM
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