Methyl (11β,12Alpha,13β,15β)-2-(β-D-Glucopyranosyloxy)-11,12-Dihydroxy-15-[(3-Methylbutanoyl)Oxy]-1,16-Dioxo-13,20-Epoxypicras-2-En-21-Oate
Properties
Property | Value |
---|---|
Formula | C32H44O16 |
IUPAC Name | methyl (11beta,12alpha,13beta,15beta)-2-(beta-d-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbutanoyl)oxy]-1,16-dioxo-13,20-epoxypicras-2-en-21-oate |
Molecular Mass | 684.682 g·mol−1 |
Heat of Formation | -2856.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.60 ± 1.08 D |
Volume | 758.82 Å 3 |
Surface Area | 550.93 Å 2 |
HOMO Energy | -10.00 ± 0.55 eV |
LUMO Energy | -0.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | NLCZJLRVAIBIDP-FCODWIRGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |