(1R,2S,3S,5S,8R,11R,12R)-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 (1r,2s,3s,5s,8r,11r,12r)-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 -842.9 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 401.06 Å 3
Surface Area 317.22 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • columbin
CAS Number(s)
  • 546-97-4
InChIKey AALLCALQGXXWNA-QJNFORGASA-N
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