Pregna-4,11-diene-3,20-dione

CAS Registry Number®

2625-60-7
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CAS Name

Pregna-4,11-diene-3,20-dione

Molecular Formula

C21H28O2

Molecular Mass

312.45

Cite this Page

Pregna-4,11-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2625-60-7 (retrieved 2024-04-27) (CAS RN: 2625-60-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175-177 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11-12,16-19H,4-8,10H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=XMUAORABVRJUDU-LEKSSAKUSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C=C3)[C@@H](C(C)=O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H]

Canonical SMILES

O=C1C=C2CCC3C(C=CC4(C)C(C(=O)C)CCC34)C2(C)CC1

Other Names for this Substance

  • Pregna-4,11-diene-3,20-dione
  • 11,12-Didehydroprogesterone
  • NSC 22020

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