(2R,2Ar,4Ar,7Ar,7Bs)-3-Formyl-4A-Hydroxy-6,6,7B-Trimethyl-2,2A,4A,5,6,7,7A,7B-Octahydro-1H-Cyclobuta[E]Inden-2-Yl 2-Hydroxy-4-Methoxy-6-Methylbenzoate

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Properties Simple | Detailed

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
Synonyms
  • 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
CAS Number(s)
  • 129741-56-6
InChIKey BGKXQRPQNIXIMH-MEVKZITKSA-N
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