(6α)-6-Chloro-17-hydroxypregna-1,4-diene-3,20-dione

CAS Registry Number®

54063-31-9
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CAS Name

(6α)-6-Chloro-17-hydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C21H27ClO3

Molecular Mass

362.89

Cite this Page

(6α)-6-Chloro-17-hydroxypregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=54063-31-9 (retrieved 2024-04-24) (CAS RN: 54063-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h4,7,10,14-16,18,25H,5-6,8-9,11H2,1-3H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1

InChIKey

InChIKey=RNSISAJHBSCDGC-SCUQKFFVSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@@H](Cl)C3)=CC(=O)C=C4)(CC1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(Cl)CC3C2CCC4(C)C3CCC4(O)C(=O)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 6-chloro-17-hydroxy-, (6α)-
  • (6α)-6-Chloro-17-hydroxypregna-1,4-diene-3,20-dione
  • Cismadinone

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