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

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Properties Simple | Detailed

Formula C24H29ClO7
IUPAC Name [(2r,2as,4ar,7ar,7br)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1h-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methyl-benzoate
Molecular Mass 464.936 g·mol−1
Heat of Formation -1217.3 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 532.11 Å 3
Surface Area 402.12 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1h-cyclobut(e)inden-2-yl ester
CAS Number(s)
  • 127486-63-9
InChIKey XOGUZUVXPLTDMB-FUVFEPFRSA-N
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Elements H C O Cl