(17α)-2,4-Dibromo-3,17-Dihydroxy-19-Norpregna-1(10),2,4-Trien-20-One

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Properties Simple | Detailed

Formula C20H24Br2O3
IUPAC Name 1-[(8r,9s,13s,14s,17s)-2,4-dibromo-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 472.211 g·mol−1
Heat of Formation -546.4 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 442.12 Å 3
Surface Area 357.66 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(8r,9s,13s,14s,17s)-2,4-dibromo-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 2,4-dbaes
  • 2,4-dibromo-17-acetylestradiol
CAS Number(s)
  • 137548-56-2
InChIKey CSLSXWGARNSDCM-XXAPIKHISA-N
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Elements H C O Br