Pregn-5-ene-3,20-dione

CAS Registry Number®

1236-09-5
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CAS Name

Pregn-5-ene-3,20-dione

Molecular Formula

C21H30O2

Molecular Mass

314.46

Cite this Page

Pregn-5-ene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1236-09-5 (retrieved 2024-09-06) (CAS RN: 1236-09-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158-160 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O2/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/h4,16-19H,5-12H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CC=C1CC(=O)CC2)[H])[H]

Canonical SMILES

O=C1CC2=CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1

Other Names for this Substance

  • Pregn-5-ene-3,20-dione
  • Δ5-Progesterone
  • NSC 12875

Deleted or Replaced CAS Registry Numbers

2602564-79-2