Methyl (1R,2R,3S,3Ar,8Bs)-6-({(2S,3R,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3-Methoxy-1,4-Dioxan-2-Yl}Oxy)-1,8B-Dihydroxy-8-Methoxy-3,3A-Diphenyl-2,3,3A,8B-Tetrahydro-1H-Benzo[B]Cyclopenta[D]Furan-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C33H36O12
IUPAC Name methyl (1r,2r,3s,3ar,8bs)-6-[[(2s,3r,6r)-6-[(1s)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3,3a-diphenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxylate
Molecular Mass 624.632 g·mol−1
Heat of Formation -1842.0 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 707.45 Å 3
Surface Area 515.64 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey SIJMLVTZKYABDE-DQXRSYLJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O