(2β,3β)-3-(β-D-Glucopyranosyloxy)-2,27-Dihydroxyolean-12-Ene-24,28-Dioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C36H56O12 |
| IUPAC Name | (2s,3r,4r,4ar,6ar,6br,8as,12as,14ar,14br)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid |
| Molecular Mass | 680.823 g·mol−1 |
| Heat of Formation | -2467.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.90 ± 1.08 D |
| Volume | 785.16 Å 3 |
| Surface Area | 553.0 Å 2 |
| HOMO Energy | -9.26 ± 0.55 eV |
| LUMO Energy | 0.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DBJLNNAUDGIUAE-HXZZEOLJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |