Methyl (1β,2Alpha,11β,12Alpha,13β,15β)-1,2,11,12-Tetrahydroxy-15-{[(2E)-4-Hydroxy-3,4-Dimethyl-2-Pentenoyl]Oxy}-16-Oxo-13,20-Epoxypicras-3-En-21-Oate
Properties
Property | Value |
---|---|
Formula | C28H38O12 |
IUPAC Name | methyl (1beta,2alpha,11beta,12alpha,13beta,15beta)-1,2,11,12-tetrahydroxy-15-{[(2e)-4-hydroxy-3,4-dimethyl-2-pentenoyl]oxy}-16-oxo-13,20-epoxypicras-3-en-21-oate |
Molecular Mass | 566.594 g·mol−1 |
Heat of Formation | -2161.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.32 ± 1.08 D |
Volume | 628.21 Å 3 |
Surface Area | 469.07 Å 2 |
HOMO Energy | -9.91 ± 0.55 eV |
LUMO Energy | -0.21 ± eV |
Point Group Symmetry | C1 |
InChIKey | BYOUNBVBMRXOLD-PVSFWKLVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |