Pregn-4-ene-3,6,20-trione

CAS Registry Number®

2243-08-5

CAS Name

Pregn-4-ene-3,6,20-trione

Molecular Formula

C21H28O3

Molecular Mass

328.45

Cite this Page

Pregn-4-ene-3,6,20-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2243-08-5 (retrieved 2024-11-24) (CAS RN: 2243-08-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-188 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15+,16-,17-,20+,21+/m0/s1

InChIKey

InChIKey=LASCNIPXMJNRGS-HGUQNLGYSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CC(=O)C1=CC(=O)CC2)[H])[H]

Canonical SMILES

O=C1C=C2C(=O)CC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,6,20-trione
  • 6-Oxoprogesterone
  • 6-Ketoprogesterone
  • NSC 76757

CAS INSIGHTSTM
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