3-{(2R)-2-[(1R,3As,4E,7Ar)-4-{(2Z)-2-[(5S)-5-Hydroxy-2-Methylenecyclohexylidene]Ethylidene}-7A-Methyloctahydro-1H-Inden-1-Yl]Propyl}Phenol

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Properties Simple | Detailed

Formula C28H38O2
IUPAC Name 3-[(2r)-2-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]phenol
Molecular Mass 406.600 g·mol−1
Heat of Formation -355.8 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 543.95 Å 3
Surface Area 441.6 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r)-2-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]phenol
  • 3-[(2r)-2-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]phenol
  • 3-[(2r)-2-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]phenol
  • 3-[(2r)-2-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]phenol
InChIKey FUULLJKQLABNSA-YPMWTJJSSA-N
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