(6As,7Ar,11Ar,11Bs,13R,13As)-6A-Hydroxy-1,1,11A-Trimethyl-8-Methylene-9-{(1R)-1-[(2R)-5-Methyl-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]Ethyl}-3-Oxo-1,3,6A,7,7A,8,11,11A,11B,12,13,13A-Dodecahydrobenzo[1,2]Azuleno[6,5-C]Oxepin-13-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C32H40O7
IUPAC Name (6as,7ar,11ar,11bs,13r,13as)-6a-hydroxy-1,1,11a-trimethyl-8-methylene-9-{(1r)-1-[(2r)-5-methyl-6-oxo-3,6-dihydro-2h-pyran-2-yl]ethyl}-3-oxo-1,3,6a,7,7a,8,11,11a,11b,12,13,13a-dodecahydrobenzo[1,2]azuleno[6,5-c]oxepin-13-yl acetate
Molecular Mass 536.656 g·mol−1
Heat of Formation -1162.0 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 649.54 Å 3
Surface Area 488.42 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey VPYOIPWGVNGDBV-XVLJLTBWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O