(5Xi,9Xi)-13-Hydroxy-15-Oxokaur-16-En-18-Oic Acid

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name (1s,4s,5r,9r,10s,13r)-13-hydroxy-5,9-dimethyl-14-methylene-15-oxo-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Mass 332.434 g·mol−1
Heat of Formation -807.0 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 404.41 Å 3
Surface Area 311.95 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
InChIKey KZDTWBJGGIIKEG-IWUPOPMTSA-N
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Elements H C O