(1S,2S,6R,7S,9Z,11S)-11-Ethoxy-9,13-Dimethyl-5-Methylene-4-Oxo-3,14-Dioxatricyclo[9.2.1.0~2,6~]Tetradeca-9,12-Dien-7-Yl Methacrylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H26O6
IUPAC Name (1s,2s,6r,7s,9z,11s)-11-ethoxy-9,13-dimethyl-5-methylene-4-oxo-3,14-dioxatricyclo[9.2.1.0 2,6 ]tetradeca-9,12-dien-7-yl methacrylate
Molecular Mass 374.428 g·mol−1
Heat of Formation -897.9 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 450.64 Å 3
Surface Area 360.69 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propenoic acid, 2-methyl-, 8-ethoxy-2,3,3a,4,5,8,11,11a-octahydro-6,10-dimethyl-3-methylene-2-oxo-8,11-epoxycyclodeca(b)furan-4-yl ester, (3ar-(3ar*,4s*,6z,8s*,11s*,11as*))-
  • phantomolin
CAS Number(s)
  • 55306-08-6
InChIKey YNGLXZUKGYZCFL-YUZMFRNZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O