(1R,11R,12R,15R)-11-(1,3-Benzodioxol-5-Yl)-15-(Hydroxymethyl)-3-Methoxy-5,7,14-Trioxatetracyclo[10.2.1.0~2,10~.0~4,8~]Pentadeca-2(10),3,8-Trien-13-One

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Formula C21H18O8
IUPAC Name (1r,11r,12r,15r)-11-(1,3-benzodioxol-5-yl)-15-(hydroxymethyl)-3-methoxy-5,7,14-trioxatetracyclo[10.2.1.0 2,10 .0 4,8 ]pentadeca-2(10),3,8-trien-13-one
Molecular Mass 398.363 g·mol−1
Heat of Formation -973.4 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 424.35 Å 3
Surface Area 353.25 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey ROTFEJQWSQLKSJ-QOQPWIFLSA-N
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