Ircinolin A
Properties
Property | Value |
---|---|
Formula | C21H34O6 |
IUPAC Name | (5s)-5-methyl-5-[(1r,4e,6s,8e)-1,6,14-trihydroxy-4,8-dimethyl-13-oxo-tetradeca-4,8-dienyl]tetrahydrofuran-2-one |
Molecular Mass | 382.491 g·mol−1 |
Heat of Formation | -1221.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.09 ± 1.08 D |
Volume | 508.89 Å 3 |
Surface Area | 380.78 Å 2 |
HOMO Energy | -9.29 ± 0.55 eV |
LUMO Energy | 0.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | YKUZFPGHZVFVLY-DZMSUEBXSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |