3α-Hydroxy-5Beta-Androstane-7,17-Dione

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name (3r,5s,8r,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-7,17-dione
Molecular Mass 304.424 g·mol−1
Heat of Formation -699.1 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 383.04 Å 3
Surface Area 301.22 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 3.83 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,8r,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-7,17-dione
  • (3r,5s,8r,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-7,17-quinone
  • 3-hydroxyandrostane-7,17-dione
  • androstane-7,17-dione, 3-hydroxy-, (3alpha,5beta)-
CAS Number(s)
  • 39201-24-6
InChIKey ONVVZSHYQMOXLN-HAYXEUKTSA-N
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