3-{[(2-Carboxycyclohexyl)Carbonyl]Oxy}-11-Oxoolean-12-En-29-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C38H56O7 |
| IUPAC Name | (2s,4as,6ar,6as,6br,8ar,10s,12as,14bs)-10-[(1s,2r)-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 | -1619.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.37 ± 1.08 D |
| Volume | 760.72 Å 3 |
| Surface Area | 551.31 Å 2 |
| HOMO Energy | -9.45 ± 0.55 eV |
| LUMO Energy | 3.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IPIHZIYZLLMCRF-KFONCKOXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |