(5Xi,9Xi,18Xi)-3-{[(2E)-3-(4-Hydroxy-3-Methoxyphenyl)-2-Propenoyl]Oxy}Olean-12-En-28-Oic Acid
Properties
Property | Value |
---|---|
Formula | C40H56O6 |
IUPAC Name | (4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
Molecular Mass | 632.869 g·mol−1 |
Heat of Formation | -1228.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.72 ± 1.08 D |
Volume | 789.4 Å 3 |
Surface Area | 596.33 Å 2 |
HOMO Energy | -8.83 ± 0.55 eV |
LUMO Energy | -0.83 ± eV |
Point Group Symmetry | C1 |
InChIKey | COZSPNKIIUVCFK-WVLCZHCKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |