2,4,6-Trihydroxy-5-{(1R)-1-[(1Ar,4R,4Ar,7S,7As,7Br)-4-Hydroxy-1,1,4,7-Tetramethyldecahydro-1H-Cyclopropa[E]Azulen-7-Yl]-3-Methylbutyl}Isophthalaldehyde

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Properties Simple | Detailed

Formula C28H40O6
IUPAC Name 5-[(1r)-1-[(1ar,4r,4ar,7s,7as,7br)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde
Molecular Mass 472.614 g·mol−1
Heat of Formation -1208.1 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 583.92 Å 3
Surface Area 424.34 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 5-((1r)-1-((11s,7r)-7-hydroxy-3,3,7,11-tetramethyltricyclo(6.3.0.0(2,4))undec-11-yl)-3-methylbutyl)-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
  • 5-[(1r)-1-((11s,7r)-7-hydroxy-3,3,7,11-tetramethyltricyclo[6.3.0.0<2,4>]undec-11-yl)-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
  • macrocarpal a
CAS Number(s)
  • 132951-90-7
InChIKey IBLPTYJTKWQCDX-MOTAWSDJSA-N
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