Methyl (11β,12Alpha,13Xi,15β)-15-{[(2E)-3,4-Dimethyl-2-Pentenoyl]Oxy}-2-(Hexopyranosyloxy)-11,12-Dihydroxy-3,16-Dioxo-13,20-Epoxypicras-1-En-21-Oate
Properties
Property | Value |
---|---|
Formula | C34H46O16 |
IUPAC Name | methyl (9xi,11beta,12beta,13beta,15beta)-15-{[(2e)-3,4-dimethyl-2-pentenoyl]oxy}-11,12-dihydroxy-2-(beta-d-mannopyranosyloxy)-3,16-dioxo-13,20-epoxypicras-1-en-21-oate |
Molecular Mass | 710.719 g·mol−1 |
Heat of Formation | -2797.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.87 ± 1.08 D |
Volume | 798.71 Å 3 |
Surface Area | 566.21 Å 2 |
HOMO Energy | -9.89 ± 0.55 eV |
LUMO Energy | -0.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | ASHBUMOFZXVPPC-LOFPQCJESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |