Xeniolide F

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name (4z,4as,8s,11ar)-8-hydroxy-4-[(e)-4-hydroxy-4-methyl-pent-2-enylidene]-7,11-dimethylene-1,4a,5,6,8,9,10,11a-octahydrocyclonona[c]pyran-3-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -626.4 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 427.37 Å 3
Surface Area 353.56 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5s,9r,13z)-5-hydroxy-13-[(e)-4-hydroxy-4-methyl-pent-2-enylidene]-4,8-dimethylene-11-oxabicyclo[7.4.0]tridecan-12-one
  • (1s,5s,9r,13z)-5-hydroxy-13-[(e)-4-hydroxy-4-methyl-pent-2-enylidene]-4,8-dimethylidene-11-oxabicyclo[7.4.0]tridecan-12-one
  • (1s,5s,9r,13z)-5-hydroxy-13-[(e)-4-hydroxy-4-methylpent-2-enylidene]-4,8-dimethylene-11-oxabicyclo[7.4.0]tridecan-12-one
  • (1s,5s,9r,13z)-5-hydroxy-13-[(e)-4-hydroxy-4-methylpent-2-enylidene]-4,8-dimethylidene-11-oxabicyclo[7.4.0]tridecan-12-one
InChIKey DKAXGACCDFMXHY-ZZCQCBSDSA-N
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