Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-9,11-dichloro-6-fluoro-, (6β,11β)-

CAS Registry Number®

57781-16-5
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CAS Name

Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-9,11-dichloro-6-fluoro-, (6β,11β)-

Molecular Formula

C25H28BrCl2FO6

Molecular Mass

594.29

Cite this Page

Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-9,11-dichloro-6-fluoro-, (6β,11β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57781-16-5 (retrieved 2024-05-18) (CAS RN: 57781-16-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H28BrCl2FO6/c1-12(30)34-11-21(33)24(35-13(2)31)6-5-14-15-7-18(29)16-8-19(32)17(26)9-23(16,4)25(15,28)20(27)10-22(14,24)3/h8-9,14-15,18,20H,5-7,10-11H2,1-4H3/t14-,15-,18+,20-,22-,23-,24-,25-/m0/s1

InChIKey

InChIKey=COPPKORMSHCPRR-HKXOFBAYSA-N

SMILES

C(COC(C)=O)(=O)[C@]1(OC(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](Cl)([C@@H](Cl)C2)[C@]4(C)C([C@H](F)C3)=CC(=O)C(Br)=C4)[H])[H]

Canonical SMILES

O=C1C=C2C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(Cl)C3(Cl)C2(C=C1Br)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-9,11-dichloro-6-fluoro-, (6β,11β)-

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