Methyl (2'R,3R,5S,5'R)-5-(3-Furyl)-2',5'-Dimethyl-2-Oxo-3',4,4',5,5',6',7',8'-Octahydro-2'H-Spiro[Furan-3,1'-Naphthalene]-5'-Carboxylate

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Properties Simple | Detailed

Formula C21H26O5
IUPAC Name methyl (1r,5r,5's,6r)-5'-(3-furyl)-1,6-dimethyl-2'-oxo-spiro[2,3,4,6,7,8-hexahydronaphthalene-5,3'-tetrahydrofuran]-1-carboxylate
Molecular Mass 358.428 g·mol−1
Heat of Formation -817.3 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 432.46 Å 3
Surface Area 338.91 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
InChIKey CRSACJNXOSEYLN-GJBMWOIVSA-N
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Elements H C O