(6Ar,10Ar)-9-(Hydroxymethyl)-6,6-Dimethyl-3-(2-Methyl-2-Octanyl)-6A,7,10,10A-Tetrahydro-6H-Benzo[C]Chromen-1-Ol

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Formula C25H38O3
IUPAC Name (6ar,10ar)-3-(1,1-dimethylheptyl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular Mass 386.567 g·mol−1
Heat of Formation -721.6 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 513.43 Å 3
Surface Area 431.8 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar,10ar)-3-(1,1-dimethylheptyl)-6,6-dimethyl-9-methylol-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
  • (6ar,10ar)-3-(1,1-dimethylheptyl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
  • (6ar,10ar)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
  • (6ar-trans-3-(1, 1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6h-dibenzo[b,d]pyran-9-methanol
  • hu-210
  • pdsp2_000201
InChIKey SSQJFGMEZBFMNV-WOJBJXKFSA-N
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