(1S,2E,6Z,10Z,14R)-14-Hydroxy-3-Isopropyl-6,14-Dimethyl-15-Oxabicyclo[8.4.2]Hexadeca-2,6,10-Trien-16-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H30O3
IUPAC Name (1s,2e,6z,10z,14r)-14-hydroxy-3-isopropyl-6,14-dimethyl-15-oxabicyclo[8.4.2]hexadeca-2,6,10-trien-16-one
Molecular Mass 318.450 g·mol−1
Heat of Formation -598.5 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 421.83 Å 3
Surface Area 321.38 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2e,6e,10z,14r)-14-hydroxy-3-isopropyl-6,14-dimethyl-15-oxabicyclo[8.4.2]hexadeca-2,6,10-trien-16-one
  • (1s,2e,6e,10z,14r)-14-hydroxy-6,14-dimethyl-3-propan-2-yl-15-oxabicyclo[8.4.2]hexadeca-2,6,10-trien-16-one
  • (1s,2e,6z,10z,14r)-14-hydroxy-6,14-dimethyl-3-propan-2-yl-15-oxabicyclo[8.4.2]hexadeca-2,6,10-trien-16-one
  • 14-hydroxy-3-isopropyl-6,14-dimethyl-15-oxa-bicyclo[8.4.2]hexadeca-2,6,10-trien-16-one
  • 15-oxabicyclo[8.4.2]hexadeca-2,6,10-trien-16-one, 14-hydroxy-6,14-dimethyl-3-(1-methylethyl)-, (1s,2e,6e,14r)-
  • echinodolide a
  • rel-(1r,2e,6e,14s)-14-hydroxy-3-isopropyl-6,14-dimethyl-15-oxabicyclo[8.4.2]hexadeca-2,6,10-trien-16-one
InChIKey YQPCUQLZJRRTCQ-JQZFCLNZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O