Testosterone Hexahydrobenzoate

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Formula C26H38O3
IUPAC Name [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] cyclohexanecarboxylate
Molecular Mass 398.578 g·mol−1
Heat of Formation -749.1 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 508.54 Å 3
Surface Area 393.08 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] cyclohexanecarboxylate
  • cyclohexanecarboxylic acid [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • cyclohexanecarboxylic acid [(8r,9s,10r,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
InChIKey YKNXICSCSYLTHK-IXKNJLPQSA-N
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