(1S,5S,6R,7R,8S)-3-Allyl-8-Hydroxy-1,5-Dimethoxy-7-(7-Methoxy-1,3-Benzodioxol-5-Yl)-6-Methylbicyclo[3.2.1]Oct-3-En-2-One

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Properties Simple | Detailed

Formula C22H26O7
IUPAC Name (1s,5s,6s,7r,8r)-3-allyl-8-hydroxy-1,5-dimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-bicyclo[3.2.1]oct-2-en-4-one
Molecular Mass 402.438 g·mol−1
Heat of Formation -890.6 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 472.19 Å 3
Surface Area 353.8 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
InChIKey WEUKJHJYSZGNIC-SMUOAUQSSA-N
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