(9β,10α)-6-Chloropregna-1,4,6-triene-3,20-dione

CAS Registry Number®

5192-84-7
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CAS Name

(9β,10α)-6-Chloropregna-1,4,6-triene-3,20-dione

Molecular Formula

C21H25ClO2

Molecular Mass

344.88

Cite this Page

(9β,10α)-6-Chloropregna-1,4,6-triene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5192-84-7 (retrieved 2024-04-25) (CAS RN: 5192-84-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H25ClO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h6,8,10-11,14-17H,4-5,7,9H2,1-3H3/t14-,15+,16-,17+,20+,21-/m0/s1

InChIKey

InChIKey=USXVMPAWZOOYDE-OAYGGAORSA-N

SMILES

C[C@]12[C@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(C=C(Cl)C1=CC(=O)C=C2)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(Cl)=CC3C2CCC4(C)C(C(=O)C)CCC34)C

Other Names for this Substance

  • Pregna-1,4,6-triene-3,20-dione, 6-chloro-, (9β,10α)-
  • 9β,10α-Pregna-1,4,6-triene-3,20-dione, 6-chloro-
  • (9β,10α)-6-Chloropregna-1,4,6-triene-3,20-dione
  • Ro 4-8347
  • 6-Chloro-9β,10α-pregna-1,4,6-triene-3,20-dione

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Deleted or Replaced CAS Registry Numbers

12663-52-4

CAS INSIGHTSTM
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