(11Ar,13S,14R,15S,15As)-2,3,4,5,6,7,13,15-Octahydroxy-9,17-Dioxo-9,11,11A,13,14,15,15A,17-Octahydrodibenzo[G,I]Pyrano[3,2-B][1,5]Dioxacycloundecin-14-Yl 3,4,5-Trihydroxybenzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H22O18
IUPAC Name (11ar,13s,14r,15s,15as)-2,3,4,5,6,7,13,15-octahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-14-yl 3,4,5-trihydroxybenzoate
Molecular Mass 634.453 g·mol−1
Heat of Formation -2828.5 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 635.89 Å 3
Surface Area 513.04 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey MXXKTYINRPDXEE-MLKBLKPTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O