(1S,5S,6R,7S,8R,9S)-9-Acetoxy-8-Methyl-4-Methylene-3-Oxo-7-(3-Oxo-1-Propen-2-Yl)-8-Vinyl-2-Oxabicyclo[3.3.1]Non-6-Yl 2-Hydroxy-2-Methylbutanoate
Properties
Property | Value |
---|---|
Formula | C22H28O8 |
IUPAC Name | [(1s,5r,6r,7s,8r,9s)-9-acetoxy-7-(1-formylvinyl)-6-methyl-2-methylene-3-oxo-6-vinyl-4-oxabicyclo[3.3.1]nonan-8-yl] (2r)-2-hydroxy-2-methyl-butanoate |
Molecular Mass | 420.453 g·mol−1 |
Heat of Formation | -1308.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.77 ± 1.08 D |
Volume | 497.6 Å 3 |
Surface Area | 373.47 Å 2 |
HOMO Energy | -10.23 ± 0.55 eV |
LUMO Energy | 2.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | UWNPZJZWGPJILE-LUPDBHJISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |