(2β,3Alpha,5Alpha,16β,17β)-2,16-Di(1-Piperidinyl)Androstane-3,17-Diol

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Formula C29H48N2O2
IUPAC Name (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-16-(1-piperidyl)-2-[(1r)-3,4,5,6-tetrahydro-2h-pyridine-4,5-diid-1-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 456.704 g·mol−1
Heat of Formation -609.4 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 600.81 Å 3
Surface Area 452.17 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2beta,3alpha,5alpha,16beta,17beta)-2,16-dipiperidin-1-ylandrosta-3,17 diol
  • (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,16-bis(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
  • (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
  • (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,16-dipiperidino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
CAS Number(s)
  • 13522-16-2
InChIKey SMEIBKQQBOLIMJ-RIQJFVKASA-N
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