(22β)-3-Hydroxy-22-{[(2Z)-2-Methyl-2-Butenoyl]Oxy}Olean-12-En-28-Oic Acid
Properties
Property | Value |
---|---|
Formula | C35H54O5 |
IUPAC Name | (4s,4as,6as,6as,6br,8ar,10s,12as,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-4-[(z)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
Molecular Mass | 554.800 g·mol−1 |
Heat of Formation | -1165.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.79 ± 1.08 D |
Volume | 704.81 Å 3 |
Surface Area | 493.71 Å 2 |
HOMO Energy | -9.18 ± 0.55 eV |
LUMO Energy | 3.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | BJFLQQFMBZHWKK-NBKYRBPISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |