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

Molecule SVG Image

Properties Simple | Detailed

Formula C20H28O4
IUPAC Name (4z,4ar,8s,11as)-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 -632.9 ± 16.7 kJ·mol−1
Dipole Moment 5.81 ± 1.08 D
Volume 427.88 Å 3
Surface Area 353.81 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5s,9s,13z)-5-hydroxy-13-[(e)-4-hydroxy-4-methyl-pent-2-enylidene]-4,8-dimethylene-11-oxabicyclo[7.4.0]tridecan-12-one
  • (1r,5s,9s,13z)-5-hydroxy-13-[(e)-4-hydroxy-4-methyl-pent-2-enylidene]-4,8-dimethylidene-11-oxabicyclo[7.4.0]tridecan-12-one
  • (1r,5s,9s,13z)-5-hydroxy-13-[(e)-4-hydroxy-4-methylpent-2-enylidene]-4,8-dimethylene-11-oxabicyclo[7.4.0]tridecan-12-one
  • (1r,5s,9s,13z)-5-hydroxy-13-[(e)-4-hydroxy-4-methylpent-2-enylidene]-4,8-dimethylidene-11-oxabicyclo[7.4.0]tridecan-12-one
  • (4z)-8-hydroxy-4-[(2e)-4-hydroxy-4-methylpent-2-en-1-ylidene]-7,11-bis(methylene)decahydrocyclonona[c]pyran-3(1h)-one
  • 8-hydroxy-4-(4-hydroxy-4-methyl-pent-2-enylidene)-11-methylene-decahydro-cyclonona[c]pyran-3,7-dione
  • cyclonona[c]pyran-3(1h)-one, decahydro-8-hydroxy-4-[(2e)-4-hydroxy-4-methyl-2-pentenylidene]-7,11-bis(methylene)-, (4z)-
  • xeniolide-f
InChIKey DKAXGACCDFMXHY-YYFHZNELSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O