3-[(1S,2S,6S)-2-{2-[(1S,2R,3R)-3-(2-Hydroxy-2-Propanyl)-2-(3-Methoxy-3-Oxopropyl)-2-Methyl-6-Methylenecyclohexyl]Ethyl}-6-Isopropenyl-1,3-Dimethyl-3-Cyclohexen-1-Yl]Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H50O5 |
| IUPAC Name | 3-[(1s,2s,6s)-2-[2-[(1s,2r,3r)-3-(1-hydroxy-1-methyl-ethyl)-2-(3-methoxy-3-oxo-propyl)-2-methyl-6-methylene-cyclohexyl]ethyl]-6-isopropenyl-1,3-dimethyl-cyclohex-3-en-1-yl]propanoic acid |
| Molecular Mass | 502.726 g·mol−1 |
| Heat of Formation | -1155.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.10 ± 1.08 D |
| Volume | 667.7 Å 3 |
| Surface Area | 486.6 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | 1.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WWMHSLBXALTJEY-YTASFOGUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |