(6R,7R,8S)-2,3,13-Trimethoxy-6,7-Dimethyl-5,6,7,8-Tetrahydrobenzo[3',4']Cycloocta[1',2':4,5]Benzo[1,2-D][1,3]Dioxole-1,8-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C22H26O7
IUPAC Name (6r,7r,8s)-2,3,13-trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-1,8-diol
Molecular Mass 402.438 g·mol−1
Heat of Formation -995.0 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 461.82 Å 3
Surface Area 364.21 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey CWTKKMAJNZCARV-YRUZYCQGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O