22-[(3-Methyl-2-Butenoyl)Oxy]-3-Oxoolean-12-En-28-Oic Acid
Properties
Property | Value |
---|---|
Formula | C35H52O5 |
IUPAC Name | (4r,4as,6ar,6as,6br,8ar,12ar,14br)-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid |
Molecular Mass | 552.784 g·mol−1 |
Heat of Formation | -1192.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.27 ± 1.08 D |
Volume | 699.53 Å 3 |
Surface Area | 516.12 Å 2 |
HOMO Energy | -9.24 ± 0.55 eV |
LUMO Energy | 3.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | VYPAPFHUHDWCBI-CNSFRLJCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |