(4Z,4As,8R,9R,11Ar)-8,9-Dihydroxy-4-[(2E)-4-Hydroxy-4-Methyl-2-Penten-1-Ylidene]-7,11-Bis(Methylene)Decahydrocyclonona[C]Pyran-3(1H)-One

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Properties Simple | Detailed

Formula C20H28O5
IUPAC Name (4z,4as,8r,9r,11ar)-8,9-dihydroxy-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 348.433 g·mol−1
Heat of Formation -815.6 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 442.95 Å 3
Surface Area 355.58 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5r,6r,9r,13z)-5,6-dihydroxy-13-[(e)-4-hydroxy-4-methyl-pent-2-enylidene]-4,8-dimethylene-11-oxabicyclo[7.4.0]tridecan-12-one
  • (1s,5r,6r,9r,13z)-5,6-dihydroxy-13-[(e)-4-hydroxy-4-methyl-pent-2-enylidene]-4,8-dimethylidene-11-oxabicyclo[7.4.0]tridecan-12-one
  • (1s,5r,6r,9r,13z)-5,6-dihydroxy-13-[(e)-4-hydroxy-4-methylpent-2-enylidene]-4,8-dimethylene-11-oxabicyclo[7.4.0]tridecan-12-one
InChIKey DFVRPHGROBFFBS-KORXDNNLSA-N
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