2-[(3Ar,5As,8R,9Ar)-3A,5A-Dimethyl-5,5A,6,7,8,9-Hexahydro-3Ah-Furo[3,2-C][2]Benzofuran-8-Yl]-2-Propanyl Acetate

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Properties Simple | Detailed

Formula C17H26O4
IUPAC Name [1-[(3ar,5as,8r,9ar)-3a,5a-dimethyl-6,7,8,9-tetrahydro-5h-furo[2,3-i]isobenzofuran-8-yl]-1-methyl-ethyl] acetate
Molecular Mass 294.386 g·mol−1
Heat of Formation -827.2 ± 16.7 kJ·mol−1
Dipole Moment 1.55 ± 1.08 D
Volume 372.81 Å 3
Surface Area 298.85 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
Synonyms
  • phytuberin
CAS Number(s)
  • 37209-50-0
InChIKey YARAJYKHRCCDLG-XLNGHYISSA-N
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Elements H C O