(3β,5Alpha,6β)-5-Bromo-6,19-Epoxycholestan-3-Yl Acetate

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Properties Simple | Detailed

Formula C29H47BrO3
IUPAC Name (3beta,5alpha,6beta)-5-bromo-6,19-epoxycholestan-3-yl acetate
Molecular Mass 523.586 g·mol−1
Heat of Formation -878.6 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 618.67 Å 3
Surface Area 487.99 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 3.45 ± eV
Point Group Symmetry C1
Synonyms
  • 5alpha-bromo-6,19-epoxycholestan-3beta-ol acetate
  • cholestan-3-ol, 5-bromo-6,19-epoxy-, acetate, (3beta,5alpha,6beta)-
CAS Number(s)
  • 1258-07-7
InChIKey YEACHZHDRMYMDK-FMSSLCCRSA-N
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Elements H C Br O