(3β)-3-({[(1S,2R)-2-Carboxycyclohexyl]Carbonyl}Oxy)-11-Oxoolean-12-En-30-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C38H56O7 |
| IUPAC Name | (2s,4as,6ar,6as,6br,8ar,10s,12as,14br)-10-[(1r,2s)-2-carboxycyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid |
| Molecular Mass | 624.847 g·mol−1 |
| Heat of Formation | 4102.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 17.08 ± 1.08 D |
| Volume | 662.42 Å 3 |
| Surface Area | 561.85 Å 2 |
| HOMO Energy | -8.71 ± 0.55 eV |
| LUMO Energy | -2.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IPIHZIYZLLMCRF-BQESUKHTSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |