(6Ar,10Ar)-1-Hydroxy-6,6-Dimethyl-3-Pentyl-6A,7,8,10A-Tetrahydro-6H-Benzo[C]Chromene-9-Carboxylic Acid

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Properties Simple | Detailed

Formula C21H28O4
IUPAC Name (6ar,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
Molecular Mass 344.445 g·mol−1
Heat of Formation -809.8 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 432.58 Å 3
Surface Area 378.83 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
  • (6ar,10ar)-3-amyl-1-hydroxy-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
  • 6h-dibenzo(b,d)pyran-9-carboxylic acid, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-, (6ar,10ar)-
  • 6h-dibenzo(b,d)pyran-9-carboxylic acid, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-, (6ar-trans)-
  • pdsp2_000218
CAS Number(s)
  • 56354-06-4
InChIKey YOVRGSHRZRJTLZ-HZPDHXFCSA-N
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