Khayanoside

Molecule SVG Image

Properties Simple | Detailed

Formula C33H36O13
IUPAC Name (4r)-4-[(1as,4r,4as,7r,8s,8as)-4-(2,3-dihydrofuran-1-ium-2-ylium-3-id-4-yl)-4a,8-dimethyl-8-(oxidomethyl)-2-oxo-4,5,6,7-tetrahydro-1ah-oxireno[2,3-d]isochromen-7-yl]-4-[(3r)-4-methylene-3h-furan-3-yl]pent-1-yn-1-olate; methanone; 2-(oxomethylene)pyran-3,4,5-trione
Molecular Mass 640.631 g·mol−1
Heat of Formation -2047.2 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 741.87 Å 3
Surface Area 530.46 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey OOWUHRQISTYBRO-RRNCYJSUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O