Xenitorin B

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Properties Simple | Detailed

Formula C15H22O
IUPAC Name (1r,4ar,7s,8ar)-1-isopropenyl-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-2-one
Molecular Mass 218.335 g·mol−1
Heat of Formation -218.1 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 298.47 Å 3
Surface Area 254.63 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4ar,7s,8ar)-1-isopropenyl-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-2-one
  • (1r,4ar,7s,8ar)-4,7-dimethyl-1-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-2-one
InChIKey SIZHTHJIDBXZNM-DNVSUFBTSA-N
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Elements H C O