Methyl (2α,3α,11Beta,12α,13Beta,15Beta)-2,3,11,12-Tetrahydroxy-15-[(3-Methyl-2-Butenoyl)Oxy]-16-Oxo-13,20-Epoxypicrasan-21-Oate
Properties
Property | Value |
---|---|
Formula | C26H36O11 |
IUPAC Name | methyl (2alpha,3alpha,11beta,12alpha,13beta,15beta)-2,3,11,12-tetrahydroxy-15-[(3-methyl-2-butenoyl)oxy]-16-oxo-13,20-epoxypicrasan-21-oate |
Molecular Mass | 524.557 g·mol−1 |
Heat of Formation | -1999.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.42 ± 1.08 D |
Volume | 588.13 Å 3 |
Surface Area | 451.07 Å 2 |
HOMO Energy | -10.02 ± 0.55 eV |
LUMO Energy | 0.12 ± eV |
Point Group Symmetry | C1 |
InChIKey | HGWAIHIPTWRNHL-QFWHAJIVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |