(5Xi,18α,22Beta)-22-{[(2S)-2-Methylbutanoyl]Oxy}-3-Oxoolean-12-En-28-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C35H54O5 |
| IUPAC Name | (4r,4as,6ar,6as,6br,8ar,12ar,14br)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2s)-2-methylbutanoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid |
| Molecular Mass | 554.800 g·mol−1 |
| Heat of Formation | -1278.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.21 ± 1.08 D |
| Volume | 707.28 Å 3 |
| Surface Area | 506.87 Å 2 |
| HOMO Energy | -9.28 ± 0.55 eV |
| LUMO Energy | 4.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KVXZSWTXYDUXID-HOZBSCFISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |