(3S)-3-[(2R,4S,5S,6R,8S)-4,5-Dihydroxy-8-Methyl-1,7-Dioxaspiro[5.5]Undec-10-En-2-Yl]-7-Hydroxy-5-Methoxy-2-Benzofuran-1(3H)-One

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Properties Simple | Detailed

Formula C19H22O8
IUPAC Name (3s)-3-[(2r,4s,5s,6r,8s)-4,5-dihydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-7-hydroxy-5-methoxy-3h-isobenzofuran-1-one
Molecular Mass 378.373 g·mol−1
Heat of Formation -1313.7 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 424.68 Å 3
Surface Area 333.83 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[(2r,4s,5s,6r,8s)-4,5-dihydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-7-hydroxy-5-methoxy-3h-2-benzofuran-1-one
  • (3s)-3-[(2r,4s,5s,6r,8s)-4,5-dihydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-7-hydroxy-5-methoxy-3h-isobenzofuran-1-one
InChIKey XOJJZYZCRNGOFV-YLZOTCFESA-N
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