Methyl (11β,12Alpha,15β)-2-(β-D-Glucopyranosyloxy)-11,12-Dihydroxy-15-[(3-Methyl-2-Butenoyl)Oxy]-3,16-Dioxo-13,20-Epoxypicras-1-En-21-Oate
Properties
Property | Value |
---|---|
Formula | C32H42O16 |
IUPAC Name | methyl (11beta,12alpha,15beta)-2-(beta-d-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-2-butenoyl)oxy]-3,16-dioxo-13,20-epoxypicras-1-en-21-oate |
Molecular Mass | 682.666 g·mol−1 |
Heat of Formation | -2757.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.78 ± 1.08 D |
Volume | 750.04 Å 3 |
Surface Area | 541.57 Å 2 |
HOMO Energy | -10.06 ± 0.55 eV |
LUMO Energy | -0.49 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
CAS Number(s) |
|
InChIKey | AKSGLPBROCFVSE-TUHDNREHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |