22Epi-Tomatidine

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Properties Simple | Detailed

Formula C27H45NO2
IUPAC Name 22epi-tomatidine
Molecular Mass 415.652 g·mol−1
Heat of Formation -653.6 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 545.26 Å 3
Surface Area 417.33 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • 5.alpha.-tomatidan-3.beta.-ol
  • spirosolan-3-ol, (3.beta.,5.alpha.,22.beta.,25s)-
InChIKey XYNPYHXGMWJBLV-PUHUBZITSA-N
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