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

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Properties Simple | Detailed

Formula C21H34O4
IUPAC Name 5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3r)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Molecular Mass 350.492 g·mol−1
Heat of Formation -926.1 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 478.89 Å 3
Surface Area 394.71 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.78 ± eV
Point Group Symmetry C1
InChIKey JANVYOZZTKSZGN-MYJQUNQTSA-N
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