(2S,3R,3A'S,4R,5'R)-8'-Hydroxy-4-[3-(Methoxycarbonyl)-3-Methyl-2-Oxopentyl]-3-Methyl-5'-Pentyl-3',3A',4,5,5',6'-Hexahydro-3H-Spiro[Furan-2,2'-Pyrano[2,3,4-De]Chromene]-9'-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C29H40O9 |
| IUPAC Name | (3s,3'r,4'r,5s,7r)-11-hydroxy-4'-[(3r)-3-methoxycarbonyl-3-methyl-2-oxo-pentyl]-3'-methyl-7-pentyl-spiro[2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene-3,2'-tetrahydrofuran]-12-carboxylic acid |
| Molecular Mass | 532.622 g·mol−1 |
| Heat of Formation | -1779.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.30 ± 1.08 D |
| Volume | 640.5 Å 3 |
| Surface Area | 507.94 Å 2 |
| HOMO Energy | -9.17 ± 0.55 eV |
| LUMO Energy | -0.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KUPCHRRTAPZASB-FZFXPSRPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |