16,28-Secosolanid-5-Ene-3,16,20-Triol, (3β,16β)-

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Formula C27H45NO3
IUPAC Name (3s,8s,9s,10r,13s,14s,16s,17r)-17-[(1r)-1-hydroxy-1-[(2r,5s)-5-methyl-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
Molecular Mass 431.651 g·mol−1
Heat of Formation -808.8 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 553.85 Å 3
Surface Area 426.62 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
InChIKey BMGBVZMEIAHUFA-LHLDNUJPSA-N
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