(4S,6S)-4,6-Dimethyl-3,7-Dioxo-5-Nonanyl 6-(6-Ethyl-3,5-Dimethyl-4-Oxo-4H-Pyran-2-Yl)-3-Hydroxy-2,2,4-Trimethyl-5-Oxohexanoate
Properties
Property | Value |
---|---|
Formula | C29H44O8 |
IUPAC Name | [(2s)-2-methyl-1-[(1s)-1-methyl-2-oxo-butyl]-3-oxo-pentyl] (3r,4r)-6-(6-ethyl-3,5-dimethyl-4-oxo-pyran-2-yl)-3-hydroxy-2,2,4-trimethyl-5-oxo-hexanoate |
Molecular Mass | 520.655 g·mol−1 |
Heat of Formation | -1692.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.84 ± 1.08 D |
Volume | 662.23 Å 3 |
Surface Area | 463.25 Å 2 |
HOMO Energy | -9.11 ± 0.55 eV |
LUMO Energy | 0.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | HBLBJTXSYDMQDU-LMSMGYPZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |