Tomatidine

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Properties Simple | Detailed

Formula C27H45NO2
IUPAC Name tomatidine
Molecular Mass 415.652 g·mol−1
Heat of Formation -678.7 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 542.76 Å 3
Surface Area 416.16 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (22s,25s)-5alpha-spirosolan-3beta-ol
  • (3beta,5alpha,22beta,25s)-spirosolan-3-ol
  • 5alpha-tomatidan-3beta-ol
  • 5alpha-tomatidan-3beta-ol (8ci)
  • bpbio1_000426
  • smp1_000126
  • spirosolan-3-ol, (3beta,5alpha,22beta,25s)- (9ci)
  • tomatidin
CAS Number(s)
  • 77-59-8
InChIKey XYNPYHXGMWJBLV-VXPJTDKGSA-N
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