16-Oxoandrostenediol

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name (3s,8r,9s,10r,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Molecular Mass 304.424 g·mol−1
Heat of Formation -646.8 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 382.62 Å 3
Surface Area 307.38 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,17beta)-3,17-dihydroxyandrost-5-en-16-one
  • (3s,8r,9s,10r,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
  • 16-ketoandrostenediol
  • 3beta,17beta-dihydroxyandrost-5-en-16-one
  • androst-5-en-16-one, 3,17-dihydroxy-, (3beta,17beta)- (9ci)
CAS Number(s)
  • 1159-66-6
InChIKey AKRBLZKRYPEVIK-PEMPUTJUSA-N
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