(1R,5S,6R,7R,10R,15S,20R,21R)-20-Acetoxy-21-(β-D-Glucopyranosyloxy)-18-Hydroxy-5,7,10,15-Tetramethyl-7-(3-Methyl-2-Butanyl)-17-Oxapentacyclo[13.3.3.0~1,14~.0~2,11~.0~5,10~]Henicos-2-Ene-6-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C38H60O12 |
| IUPAC Name | (1r,5s,6r,7r,10r,15s,20r,21r)-20-acetoxy-21-(beta-d-glucopyranosyloxy)-18-hydroxy-5,7,10,15-tetramethyl-7-(3-methyl-2-butanyl)-17-oxapentacyclo[13.3.3.0 1,14 .0 2,11 .0 5,10 ]henicos-2-ene-6-carboxylic acid |
| Molecular Mass | 708.876 g·mol−1 |
| Heat of Formation | -2496.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.65 ± 1.08 D |
| Volume | 841.73 Å 3 |
| Surface Area | 599.32 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | 0.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IAOFPTKYKOAKGZ-GHUTVYTFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |