4-Bromo-4-Cholesten-3-One

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Properties Simple | Detailed

Formula C27H43BrO
IUPAC Name (8s,9s,10r,13r,14s,17r)-4-bromo-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 463.534 g·mol−1
Heat of Formation -450.0 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 563.61 Å 3
Surface Area 437.34 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13r,14s,17r)-4-bromo-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13r,14s,17r)-4-bromo-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 4-bromocholest-4-en-3-one
  • cholest-4-en-3-one, 4-bromo-
CAS Number(s)
  • 3702-37-2
InChIKey DMRIADVFXVXWLL-OLZFZNDLSA-N
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Elements H C O Br