Calicoferol C

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Properties Simple | Detailed

Formula C28H44O2
IUPAC Name (1r,3as,4s,5r,7ar)-1-[(1r)-1,5-dimethyl-4-methylene-hexyl]-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
Molecular Mass 412.648 g·mol−1
Heat of Formation -571.7 ± 16.7 kJ·mol−1
Dipole Moment 0.53 ± 1.08 D
Volume 572.87 Å 3
Surface Area 458.86 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,4s,5r,7ar)-1-[(1r)-1,5-dimethyl-4-methylene-hexyl]-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
  • (1r,3as,4s,5r,7ar)-1-[(1r)-1,5-dimethyl-4-methylenehexyl]-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
  • (1r,3as,4s,5r,7ar)-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-1-[(1r)-4-isopropyl-1-methyl-pent-4-enyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
  • (1r,3as,4s,5r,7ar)-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-1-[(2r)-6-methyl-5-methylidene-heptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
  • (1r,3as,4s,5r,7ar)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
InChIKey GKFHBWBDOADOEV-HFOUWSASSA-N
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