4'-(Benzoyloxy)-3A,4-Dihydroxy-5'-Methyl-3-Oxodecahydro-3H-Spiro[1-Benzofuran-2,2'-Pyran]-6-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C21H24O9 |
IUPAC Name | (2s,3ar,4r,4's,5'r,6s,7ar)-4'-benzoyloxy-3a,4-dihydroxy-5'-methyl-3-oxo-spiro[5,6,7,7a-tetrahydro-4h-benzofuran-2,2'-tetrahydropyran]-6-carboxylic acid |
Molecular Mass | 420.410 g·mol−1 |
Heat of Formation | -1572.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.51 ± 1.08 D |
Volume | 469.84 Å 3 |
Surface Area | 350.73 Å 2 |
HOMO Energy | -10.01 ± 0.55 eV |
LUMO Energy | 2.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | XUYMFMZUGFKHAN-GRSBZFAJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |