Dichlorisone

CAS Registry Number®

7008-26-6
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CAS Name

Dichlorisone

Molecular Formula

C21H26Cl2O4

Molecular Mass

413.33

Cite this Page

Dichlorisone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=7008-26-6 (retrieved 2024-03-29) (CAS RN: 7008-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238-241 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26Cl2O4/c1-18-7-5-13(25)9-12(18)3-4-15-14-6-8-20(27,17(26)11-24)19(14,2)10-16(22)21(15,18)23/h5,7,9,14-16,24,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1

InChIKey

InChIKey=CZJXBZPJABCCRQ-BULBTXNYSA-N

SMILES

Cl[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1Cl)[C@](C(CO)=O)(O)CC3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)CO)C4(C)CC(Cl)C32Cl)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9,11-dichloro-17,21-dihydroxy-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 9,11β-dichloro-17,21-dihydroxy-
  • (11β)-9,11-Dichloro-17,21-dihydroxypregna-1,4-diene-3,20-dione
  • Dichlorisone
  • 9α,11β-Dichloro-17α,21-dihydroxypregna-1,4-diene-3,20-dione

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