(1S,5R,6R,7S)-6-[(3E)-4,8-Dimethylnona-3,7-Dienyl]-4-Hydroxy-6-Methyl-5-[(2R)-2-Methylbutanoyl]-7-(3-Methylbut-2-Enyl)Bicyclo[3.3.1]Non-3-Ene-2,9-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C28H20O4
IUPAC Name (3r)-5,7-bis[(2-methylenecyclopropylidene)methylene]-1-(oxomethylene)-6-prop-1-ynyl-spiro[2.5]octane-2,8-dione; formaldehyde; penta-1,3-diyne
Molecular Mass 420.456 g·mol−1
Heat of Formation 3679.6 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 465.65 Å 3
Surface Area 368.22 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey IPAPUJPVGOKMKO-GKCXXVCOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O