Formula |
C21H28O9 |
IUPAC Name |
butyl 1,3,5-trihydroxy-4-[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-cyclohexanecarboxylate |
Molecular Mass |
424.442 g·mol−1 |
Heat of Formation |
-1576.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.08 ± 1.08 D |
Volume |
492.97 Å 3 |
Surface Area |
446.29 Å 2 |
HOMO Energy |
-8.80 ± 0.55 eV |
LUMO Energy |
-0.89 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CFSGXVCRNZCANZ-UVCFQIBXSA-N |
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Elements |
H
C
O
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