Delmadinone

CAS Registry Number®

15262-77-8
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CAS Name

Delmadinone

Molecular Formula

C21H25ClO3

Molecular Mass

360.87

Cite this Page

Delmadinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=15262-77-8 (retrieved 2024-04-26) (CAS RN: 15262-77-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H25ClO3/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/h4,7,10-11,14-16,25H,5-6,8-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1

InChIKey

InChIKey=ZSAMZEYLGUEVJW-TTYLFXKOSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C(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-1,4,6-triene-3,20-dione, 6-chloro-17-hydroxy-
  • 6-Chloro-17-hydroxypregna-1,4,6-triene-3,20-dione
  • Delmadinone
  • Δ1-Chlormadinone
  • 6-Chloro-17α-hydroxypregna-1,4,6-triene-3,20-dione

CAS INSIGHTSTM
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