(3Z,3As,5Ar,7S,9Ar,9Bs)-3A,6,6,9A-Tetramethyl-3-[(3E,5E,8E)-6-Methyl-7,10-Dioxo-3,5,8-Undecatrien-2-Ylidene]-2-Oxododecahydro-1H-Cyclopenta[A]Naphthalen-7-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C31H42O5
IUPAC Name [(3z,3as,5ar,7s,9ar,9bs)-3-[(2e,4e,7e)-1,5-dimethyl-6,9-dioxo-deca-2,4,7-trienylidene]-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate
Molecular Mass 494.662 g·mol−1
Heat of Formation -848.1 ± 16.7 kJ·mol−1
Dipole Moment 8.89 ± 1.08 D
Volume 641.36 Å 3
Surface Area 512.41 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey CDPPOXOHMOXLAH-SQBDJJPTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O