5-{(3As,5R,6R,6As)-5-Hydroxy-6-[(1E)-4-(3-Methylphenyl)-1-Buten-1-Yl]-1,3A,4,5,6,6A-Hexahydro-2-Pentalenyl}Pentanoic Acid

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Properties Simple | Detailed

Formula C24H32O3
IUPAC Name 5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e)-4-(m-tolyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Molecular Mass 368.509 g·mol−1
Heat of Formation -612.9 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 489.77 Å 3
Surface Area 380.3 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 3.72 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e)-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
  • 5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e)-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]valeric acid
InChIKey UZEWMXSWYKBMJG-ROHPBGETSA-N
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