Solasodine

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Formula C27H43NO2
IUPAC Name (1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
Molecular Mass 413.636 g·mol−1
Heat of Formation -587.0 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 539.99 Å 3
Surface Area 416.68 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
Synonyms
  • bpbio1_000799
CAS Number(s)
  • 126-17-0
InChIKey KWVISVAMQJWJSZ-VKROHFNGSA-N
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