2β-Hydroxy-19-Oxo-4-Androstene-3,17-Dione

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Properties Simple | Detailed

Formula C19H24O4
IUPAC Name (2s,8r,9s,10s,13s,14s)-2-hydroxy-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Mass 316.391 g·mol−1
Heat of Formation -663.7 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 380.95 Å 3
Surface Area 305.92 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,8r,9s,10s,13s,14s)-2-hydroxy-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • (2s,8r,9s,10s,13s,14s)-2-hydroxy-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-10-carboxaldehyde
  • (2s,8r,9s,10s,13s,14s)-2-hydroxy-3,17-diketo-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • 2-bhoad
  • 2beta-hydroxy-19-oxoandrost-4-ene-3,17-dione
  • androst-4-en-19-al, 2-hydroxy-3,17-dioxo-, (2beta)-
CAS Number(s)
  • 54592-52-8
InChIKey PTGIVKYRXURANS-GZOOHYFNSA-N
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