16α-Hydroxy-19-Oxoandrost-4-Ene-3,17-Dione

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Properties Simple | Detailed

Formula C19H24O4
IUPAC Name (8r,9s,10s,13s,14s,16r)-16-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 -681.2 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 382.29 Å 3
Surface Area 307.06 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (16alpha)-16-hydroxy-3,17-dioxoandrost-4-en-19-al
  • (8r,9s,10s,13s,14s,16r)-16-hydroxy-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • (8r,9s,10s,13s,14s,16r)-16-hydroxy-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-10-carboxaldehyde
  • (8r,9s,10s,13s,14s,16r)-16-hydroxy-3,17-diketo-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • 16-haet
  • 16-hydroxy-19-oxo-4-androsten-3,17-dione
  • 16-hydroxyandrost-4-ene-3,17,19-trione
  • 16-oh-19-oxo a
  • androst-4-en-19-al, 16-hydroxy-3,17-dioxo-, (16alpha)-
CAS Number(s)
  • 129880-44-0
InChIKey VRUPIXBFMFLHCS-ROSLGNJOSA-N
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