(3β,16Alpha,17β)-3-Hydroxy-17-{(1S)-1-[(2S,5S)-5-Methyl-2-Piperidinyl]Ethyl}Androst-5-En-16-Yl Acetate

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Formula C29H44NO3
IUPAC Name [(3s,8s,9s,10r,13s,14s,16r,17r)-3-hydroxy-10,13-dimethyl-17-[(1s)-1-[(2s,5s)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-16-yl] acetate
Molecular Mass 454.665 g·mol−1
Heat of Formation -833.4 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 597.29 Å 3
Surface Area 450.05 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 4.21 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,8s,9s,10r,13s,14s,16r,17r)-3-hydroxy-10,13-dimethyl-17-[(1s)-1-[(2s,5s)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-16-yl] acetate
  • [(3s,8s,9s,10r,13s,14s,16r,17r)-3-hydroxy-10,13-dimethyl-17-[(1s)-1-[(2s,5s)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-16-yl] ethanoate
  • acetic acid [(3s,8s,9s,10r,13s,14s,16r,17r)-3-hydroxy-10,13-dimethyl-17-[(1s)-1-[(2s,5s)-5-methyl-2-piperidinyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-16-yl] ester
  • acetic acid [(3s,8s,9s,10r,13s,14s,16r,17r)-3-hydroxy-10,13-dimethyl-17-[(1s)-1-[(2s,5s)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-16-yl] ester
InChIKey ZVYUDNWAHWVPPN-WGMPUXNISA-N
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