Methyl (11β,12Alpha,15β)-15-{[(2E)-3,4-Dimethyl-2-Pentenoyl]Oxy}-2-(β-D-Glucopyranosyloxy)-11,12-Dihydroxy-3,16-Dioxo-13,20-Epoxypicras-1-En-21-Oate
Properties
Property | Value |
---|---|
Formula | C34H46O16 |
IUPAC Name | methyl (11beta,12alpha,15beta)-15-{[(2e)-3,4-dimethyl-2-pentenoyl]oxy}-2-(beta-d-glucopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-13,20-epoxypicras-1-en-21-oate |
Molecular Mass | 710.719 g·mol−1 |
Heat of Formation | -2830.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.06 ± 1.08 D |
Volume | 788.95 Å 3 |
Surface Area | 552.47 Å 2 |
HOMO Energy | -9.81 ± 0.55 eV |
LUMO Energy | -0.34 ± eV |
Point Group Symmetry | C1 |
InChIKey | ASHBUMOFZXVPPC-OSEXXACASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |