(6β)-6-Bromoandrost-4-Ene-3,17-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C19H25BrO2
IUPAC Name (6r,8r,9s,10r,13s,14s)-6-bromo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 365.305 g·mol−1
Heat of Formation -421.3 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 393.17 Å 3
Surface Area 310.63 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8r,9s,10r,13s,14s)-6-bromo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (6r,8r,9s,10r,13s,14s)-6-bromo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-quinone
  • 6-bromoandrostenedione
  • androst-4-ene-3,17-dione, 6-bromo-, (6beta)-
CAS Number(s)
  • 38632-00-7
InChIKey HAWQRBIGKRAICT-DQXCSHPPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br