(1S,2S,3S,5S,8R,11R,12S)-5-(3-Furyl)-12-Hydroxy-3,11-Dimethyl-6,14-Dioxatetracyclo[10.2.2.0~2,11~.0~3,8~]Hexadec-15-Ene-7,13-Dione

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Formula C20H22O6
IUPAC Name (1s,2s,3s,5s,8r,11r,12s)-5-(3-furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0 2,11 .0 3,8 ]hexadec-15-ene-7,13-dione
Molecular Mass 358.385 g·mol−1
Heat of Formation -840.5 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 401.32 Å 3
Surface Area 316.95 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-etheno-3h,7h-benzo(1,2-c:3,4-c')dipyran-3,7-dione, 9-(3-furanyl)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4-hydroxy-4a,10a-dimethyl-, (1r-(1alpha,4beta,4aalpha,6abeta,9beta,10abeta,10balpha))-
  • 4-hydroxy-15,16-epoxycleroda-2,13(16),14-trieno-17,12-18,1-biscarbolactone
InChIKey AALLCALQGXXWNA-DURQJQQASA-N
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