16α,19-Dihydroxy-4-Androstene-3,17-Dione

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Properties Simple | Detailed

Formula C19H26O4
IUPAC Name (8r,9s,10s,13s,14s,16r)-16-hydroxy-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 318.407 g·mol−1
Heat of Formation -759.0 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 387.23 Å 3
Surface Area 309.06 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10s,13s,14s,16r)-16-hydroxy-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (8r,9s,10s,13s,14s,16r)-16-hydroxy-13-methyl-10-methylol-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-quinone
  • 16,19-dhad
  • 16,19-dihydroxy-4-androsten-3,17-dione
  • 16,19-dihydroxyandrost-4-ene-3,17,-dione
CAS Number(s)
  • 60385-81-1
InChIKey AWFCHTZPCGZPQD-ROSLGNJOSA-N
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