(1R,3R,6Z,9Z)-3,7,11,11,14-Pentamethyl-16-Oxatricyclo[11.2.1.0~1,5~]Hexadeca-4,6,9,13-Tetraene-8,15-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C20H24O3
IUPAC Name (1r,3r,6z,9z)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.0 1,5 ]hexadeca-4,6,9,13-tetraene-8,15-dione
Molecular Mass 312.403 g·mol−1
Heat of Formation -350.2 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 392.45 Å 3
Surface Area 315.88 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 3a,6-epoxy-3ah-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, [2r-(2r*,3ar*,9e,12z)]-
  • 3a,6-epoxy-3ah-cyclopentacyclododecin-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, [2r-(2r*,3ar*,9e,12z)]-
  • 3a.beta.,6-epoxy-3ah-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2.alpha.,5,8,8,12-pentamethyl-, (+)-
  • 3a.beta.,6-epoxy-3ah-cyclopentacyclododecin-4,11-dione, 2,3,7,8-tetrahydro-2.alpha.,5,8,8,12-pentamethyl-, (+)-
  • 3ab,6-epoxy-3ah-cyclopentadodecin-4,11-dione, 2,3,7,8-tetrahydro-2a,5,8,8,12-pentamethyl-, (+)-
  • jatrophone
InChIKey MJNNONLDVCCGCA-NNFBGVLYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O