(6Ar,9R,10Ar)-9-(Hydroxymethyl)-6,6-Dimethyl-3-(2-Methyl-2-Octanyl)-6A,7,8,9,10,10A-Hexahydro-6H-Benzo[C]Chromen-1-Ol

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Properties Simple | Detailed

Formula C25H40O3
IUPAC Name (6ar,9r,10ar)-3-(1,1-dimethylheptyl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
Molecular Mass 388.583 g·mol−1
Heat of Formation -802.5 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 521.07 Å 3
Surface Area 437.93 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar,9r,10ar)-3-(1,1-dimethylheptyl)-6,6-dimethyl-9-methylol-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
  • (6ar,9r,10ar)-3-(1,1-dimethylheptyl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
  • (6ar,9r,10ar)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
  • hu243
InChIKey MVEVPDCVOXJVBD-MISYRCLQSA-N
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