1-O-[(3β,5Xi,9Xi,18Alpha)-3-Hydroxy-11,29-Dioxoolean-12-En-29-Yl]-β-D-Glucopyranuronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C36H54O10 |
| IUPAC Name | (2s,3s,4s,5r,6s)-6-[(2r,4ar,6ar,6as,6br,8ar,10s,12as,14bs)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxido-13-oxo-1,5,6,6a,7,8,8a,10,11,12,14,14b-dodecahydropicen-14-ide-2-carbonyl]oxy-3,4,5-trioxido-tetrahydropyran-2,3,4,5,6-pentaide-2-carboxylate |
| Molecular Mass | 646.808 g·mol−1 |
| Heat of Formation | -2075.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.12 ± 1.08 D |
| Volume | 772.08 Å 3 |
| Surface Area | 544.39 Å 2 |
| HOMO Energy | -9.47 ± 0.55 eV |
| LUMO Energy | 3.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PCQOITPWNKCXLU-RMQZZCFQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |