(5Xi,18α,22Beta)-24-Hydroxy-22-{[(2E)-2-Methyl-2-Butenoyl]Oxy}-3-Oxoolean-12-En-28-Oic Acid
Properties
Property | Value |
---|---|
Formula | C35H52O6 |
IUPAC Name | (4r,4as,6ar,6as,6br,9s,12ar,14br)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(e)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid |
Molecular Mass | 568.784 g·mol−1 |
Heat of Formation | 3301.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.87 ± 1.08 D |
Volume | 553.66 Å 3 |
Surface Area | 449.93 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | -2.33 ± eV |
Point Group Symmetry | C1 |
InChIKey | NZQARWYKOBSGNY-OYZOSZSFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O |