(3β,16Alpha)-3,16-Dihydroxy-17-Oxoandrost-5-En-19-Al

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Properties Simple | Detailed

Formula C19H26O4
IUPAC Name (3s,8r,9s,10s,13s,14s,16r)-3,16-dihydroxy-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Mass 318.407 g·mol−1
Heat of Formation -745.1 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 387.69 Å 3
Surface Area 308.56 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9s,10s,13s,14s,16r)-3,16-dihydroxy-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
  • (3s,8r,9s,10s,13s,14s,16r)-3,16-dihydroxy-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
  • (3s,8r,9s,10s,13s,14s,16r)-3,16-dihydroxy-17-keto-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
  • 3,16-dihydroxyandrost-5-ene-17,19-dione
  • androst-5-en-19-al, 3,16-dihydroxy-17-oxo-, (3beta,16alpha)-
  • dhed
InChIKey FKCHHWORRFEEJO-PMIQAHKFSA-N
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