(1S,2R,5R)-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's,2r,5'r)-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 -951.2 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 460.42 Å 3
Surface Area 378.36 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (1's,2r,5'r)-5,7-dihydroxy-6',6'-dimethyl-6-(3-methyl-1-oxobutyl)-8-spiro[chroman-2,2'-norpinane]carboxaldehyde
  • (1's,2r,5'r)-5,7-dihydroxy-6',6'-dimethyl-6-(3-methylbutanoyl)spiro[chroman-2,2'-norpinane]-8-carbaldehyde
  • (1's,2r,5'r)-5,7-dihydroxy-6-isovaleryl-6',6'-dimethyl-spiro[chroman-2,2'-norpinane]-8-carbaldehyde
  • (1s,2r,5r)-5',7'-dihydroxy-7,7-dimethyl-6'-(3-methylbutanoyl)spiro[bicyclo[3.1.1]heptane-2,2'-chroman]-8'-carbaldehyde
  • 3,4-dihydro-5,6',7-trihydroxy-6'-methyl-6-(3-methyl-1-oxobutyl)sprio(2h-1-benzopyran-2,2'-bicyclo(3.1.1)heptane)-8-carboxaldehyde
  • spiro(2h-1-benzopyran-2,2'-bicyclo(3.1.1)heptane)-8-carboxaldehyde, 3,4-dihydro-5,6',7-trihydroxy-6'-methyl-6-(3-methyl-1-oxobutyl)-
  • sprio(2h-1-benzopyran-2,2'-bicyclo(3.1.1)heptane)-8-carboxaldehyde, 3,4-dihydro-5,6',7-trihydroxy-6'-methyl-6-(3-methyl-1-oxobutyl)-
CAS Number(s)
  • 130288-58-3
InChIKey XREJXBXJCWWRFP-GJKYVBSNSA-N
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