17-[1-(5-Methyl-2-Piperidinyl)Ethyl]Androst-5-Ene-3,16-Diol

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Formula C27H45NO2
IUPAC Name (3s,8s,9s,10r,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(2r,5r)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
Molecular Mass 415.652 g·mol−1
Heat of Formation -612.3 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 550.34 Å 3
Surface Area 422.82 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(2r,5r)-5-methyl-2-piperidinyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • (3s,8s,9s,10r,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(2r,5r)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • (3s,8s,9s,10r,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(2r,5r)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
InChIKey IRRHFODGOMSPEE-XAIUJEHFSA-N
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