(1R,2R,5S)-5',7'-Dihydroxy-6,6-Dimethyl-6'-(3-Methylbutanoyl)-3',4'-Dihydrospiro[Bicyclo[3.1.1]Heptane-2,2'-Chromene]-8'-Carbaldehyde

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Properties Simple | Detailed

Formula C23H30O5
IUPAC Name (1'r,2r,5's)-5,7-dihydroxy-6',6'-dimethyl-6-(3-methylbutanoyl)spiro[chromane-2,2'-norpinane]-8-carbaldehyde
Molecular Mass 386.481 g·mol−1
Heat of Formation -900.8 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 469.59 Å 3
Surface Area 382.06 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • (1'r,2r,5's)-5,7-dihydroxy-6',6'-dimethyl-6-(3-methyl-1-oxobutyl)-8-spiro[chroman-2,2'-norpinane]carboxaldehyde
  • (1'r,2r,5's)-5,7-dihydroxy-6',6'-dimethyl-6-(3-methylbutanoyl)spiro[chroman-2,2'-norpinane]-8-carbaldehyde
  • (1'r,2r,5's)-5,7-dihydroxy-6-isovaleryl-6',6'-dimethyl-spiro[chroman-2,2'-norpinane]-8-carbaldehyde
  • (1r,2r,5s)-5',7'-dihydroxy-7,7-dimethyl-6'-(3-methylbutanoyl)spiro[bicyclo[3.1.1]heptane-2,2'-chroman]-8'-carbaldehyde
InChIKey XREJXBXJCWWRFP-OLJPZDALSA-N
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