(17β)-3-Oxoandrost-4-En-17-Yl Pivalate

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Properties Simple | Detailed

Formula C24H36O3
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] 2,2-dimethylpropanoate
Molecular Mass 372.541 g·mol−1
Heat of Formation -750.6 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 491.18 Å 3
Surface Area 383.47 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (17beta)-17-(2,2-dimethyl-1-oxopropoxy)androst-4-en-3-one
  • 2,2-dimethylpropanoic 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
  • 2,2-dimethylpropionic 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
  • [(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] 2,2-dimethylpropanoate
  • testosterone pivalate
CAS Number(s)
  • 21549-54-2
InChIKey KWPDLKDMQCWWIT-IGJOJHROSA-N
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