Formula |
C24H30O6 |
IUPAC Name |
[(2r,2ar,4ar,7ar,7bs)-3-formyl-4a-hydroxy-6,6,7b-trimethyl-1,2,2a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methyl-benzoate |
Molecular Mass |
414.491 g·mol−1 |
Heat of Formation |
-1003.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.01 ± 1.08 D |
Volume |
505.9 Å 3 |
Surface Area |
394.2 Å 2 |
HOMO Energy |
-9.36 ± 0.55 eV |
LUMO Energy |
-0.23 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1h-cyclobut(e)inden-2-yl ester
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CAS Number(s) |
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InChIKey |
BGKXQRPQNIXIMH-MEVKZITKSA-N |
QR Code |
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Links |
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Elements |
H
C
O
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