(13α,18α)-2-Cyano-3-Hydroxy-12-Oxooleana-2,9(11)-Dien-28-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H43NO4 |
| IUPAC Name | (4as,6ar,6bs,8ar,12as,14ar,14bs)-11-cyano-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,7,8,8a,12,14a,14b-decahydro-1h-picene-4a-carboxylic acid |
| Molecular Mass | 493.677 g·mol−1 |
| Heat of Formation | -825.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.97 ± 1.08 D |
| Volume | 614.43 Å 3 |
| Surface Area | 444.95 Å 2 |
| HOMO Energy | -9.64 ± 0.55 eV |
| LUMO Energy | 2.87 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YTXFWWUYCLBPKV-UQMAOPSPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |