9-Bromopregn-4-ene-3,11,20-trione

CAS Registry Number®

2527-11-9

CAS Name

9-Bromopregn-4-ene-3,11,20-trione

Molecular Formula

C21H27BrO3

Molecular Mass

407.34

Cite this Page

9-Bromopregn-4-ene-3,11,20-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2527-11-9 (retrieved 2024-11-21) (CAS RN: 2527-11-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H27BrO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h10,15-17H,4-9,11H2,1-3H3/t15-,16+,17+,19-,20+,21+/m1/s1

InChIKey

InChIKey=NWFOHSCPTMLQIH-GHMDXEKNSA-N

SMILES

Br[C@@]12[C@]([C@]3([C@](C)(CC1=O)[C@@H](C(C)=O)CC3)[H])(CCC=4[C@]2(C)CCC(=O)C4)[H]

Canonical SMILES

O=C1C=C2CCC3C4CCC(C(=O)C)C4(C)CC(=O)C3(Br)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,11,20-trione, 9-bromo-
  • 9-Bromopregn-4-ene-3,11,20-trione
  • BOP
  • 9α-BOP
  • Braxorone

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CAS INSIGHTSTM
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