Pregn-11-ene-3,20-dione, (5β)-

CAS Registry Number®

1096-39-5

CAS Name

Pregn-11-ene-3,20-dione, (5β)-

Molecular Formula

C21H30O2

Molecular Mass

314.46

Cite this Page

Pregn-11-ene-3,20-dione, (5β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1096-39-5 (retrieved 2024-12-04) (CAS RN: 1096-39-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132-134 °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/h9,11,14,16-19H,4-8,10,12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1

InChIKey

InChIKey=ZQTJQOPWOKKYDC-XWOJZHJZSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C=C3)[C@@H](C(C)=O)CC4)[H])(CC[C@@]1(CC(=O)CC2)[H])[H])[H]

Canonical SMILES

O=C1CCC2(C)C3C=CC4(C)C(C(=O)C)CCC4C3CCC2C1

Other Names for this Substance

  • Pregn-11-ene-3,20-dione, (5β)-
  • 5β-Pregn-11-ene-3,20-dione
  • NSC 54703

CAS INSIGHTSTM
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