(3α)-3-Hydroxylup-20(29)-En-27-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C30H48O3 |
| IUPAC Name | (1r,3ar,5as,5br,7ar,9r,11ar,11br,13ar,13br)-9-hydroxy-1-isopropenyl-3a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid |
| Molecular Mass | 456.700 g·mol−1 |
| Heat of Formation | -850.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.75 ± 1.08 D |
| Volume | 588.72 Å 3 |
| Surface Area | 421.53 Å 2 |
| HOMO Energy | -9.49 ± 0.55 eV |
| LUMO Energy | 4.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CLOUCVRNYSHRCF-CHVGUTEKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |