(1S,4R,6R,13R,14S)-13-Hydroxy-4,9,13-Trimethyl-17-Methylene-5,15-Dioxatricyclo[12.3.1.0~4,6~]Octadec-9-En-16-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H30O4
IUPAC Name (1s,4r,6r,13r,14s)-13-hydroxy-4,9,13-trimethyl-17-methylene-5,15-dioxatricyclo[12.3.1.0 4,6 ]octadec-9-en-16-one
Molecular Mass 334.450 g·mol−1
Heat of Formation -701.3 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 434.15 Å 3
Surface Area 335.25 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 5,15-dioxatricyclo(12.3.1.0(4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1r-(1r*,4s*,6s*,9e,13s*,14r*))-
  • 5,15-dioxatricyclo(12.3.1.0(sup 4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1r-(1r*,4s*,6s*,9e,13s*,14r*))-
  • flexibilide
InChIKey YKKJETNBRNDYKN-BZLNSZKZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O