Pingbeinine

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Formula C28H45NO3
IUPAC Name (3s,8s,9s,10r,13s,14s,16s,17r)-17-[(1s)-1-[(2r,5r)-5-hydroxy-1,5-dimethylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
Molecular Mass 443.662 g·mol−1
Heat of Formation -809.8 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 583.84 Å 3
Surface Area 442.69 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,16s,17r)-17-[(1s)-1-[(2r,5r)-5-hydroxy-1,5-dimethyl-2-piperidinyl]ethyl]-10,13-dimethyl-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,16s,17r)-17-[(1s)-1-[(2r,5r)-5-hydroxy-1,5-dimethyl-2-piperidyl]ethyl]-10,13-dimethyl-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,16s,17r)-17-[(1s)-1-[(2r,5r)-5-hydroxy-1,5-dimethyl-piperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • 16,28-secosolanid-5-ene-3,16,25-triol, 28-methyl-, (3beta,16beta,25beta)-
CAS Number(s)
  • 131984-89-9
InChIKey JTBAWWCDNDKCDH-NCGAYPANSA-N
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