1-[(4Ar,9Ar)-6,8-Dihydroxy-1,1,4A-Trimethyl-2,3,4,4A,9,9A-Hexahydro-1H-Xanthen-7-Yl]-2-Methyl-1-Propanone

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name 1-[(8ar,10ar)-1,3-dihydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-yl]-2-methyl-propan-1-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -877.2 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 406.09 Å 3
Surface Area 338.56 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(8ar,10ar)-1,3-dihydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-yl]-2-methyl-propan-1-one
  • 1-[(8ar,10ar)-1,3-dihydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-yl]-2-methylpropan-1-one
InChIKey CDSIDDNDJFYVNH-FOIQADDNSA-N
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