9,17α-Dihydroxy-3-Oxoandrost-4-Ene-17-Carbonitrile

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Formula C20H27NO3
IUPAC Name (8s,9r,10s,13s,14s,17r)-9,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbonitrile
Molecular Mass 329.433 g·mol−1
Heat of Formation -532.9 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 403.94 Å 3
Surface Area 316.38 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9r,10s,13s,14s,17r)-9,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbonitrile
  • (8s,9r,10s,13s,14s,17r)-9,17-dihydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbonitrile
InChIKey UHCRRDZEBITSMZ-RPZLJYRGSA-N
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