(5E,7E,14Xi,22E)-9,10-Secoergosta-5,7,10,22-Tetraen-3-Yl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C34H52O7 |
| IUPAC Name | (2s,3s,4s,5r,6r)-6-[(1s,3e)-3-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 572.772 g·mol−1 |
| Heat of Formation | -1395.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.11 ± 1.08 D |
| Volume | 739.72 Å 3 |
| Surface Area | 516.68 Å 2 |
| HOMO Energy | -8.55 ± 0.55 eV |
| LUMO Energy | 0.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NLCXHIGBBJLZMX-NANBRIITSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |