Kadsuracoccinic Acid A

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Formula C28H22O4
IUPAC Name (z,6z)-6-[(3as,6s,7s,9as,9bs)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-2,4,7,8,9,9a-hexahydro-1h-cyclopenta[a]naphthalen-3-ylidene]-2-methylhept-2-enoic acid
Molecular Mass 422.472 g·mol−1
Heat of Formation -899.2 ± 16.7 kJ·mol−1
Dipole Moment 1.22 ± 1.08 D
Volume 620.17 Å 3
Surface Area 430.51 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
InChIKey QOIBKZDJHBYYMX-AVNVPESYSA-N
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Elements H C O