(2β,3β,5Xi,9Xi,18Xi,21β)-3-(β-D-Glucopyranosyloxy)-2,21,23-Trihydroxyolean-12-En-28-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C36H58O11 |
| IUPAC Name | (3s,4ar,6as,6as,6br,8ar,9r,10r,11s,12ar,14bs)-3,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Molecular Mass | 666.839 g·mol−1 |
| Heat of Formation | -2229.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.14 ± 1.08 D |
| Volume | 794.49 Å 3 |
| Surface Area | 565.17 Å 2 |
| HOMO Energy | -9.48 ± 0.55 eV |
| LUMO Energy | 3.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XARTTWLFBGJXMU-OLJQMEQJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |