(2Z)-6-Methyl-2-{3-[(3Ar,4S,9S,9Ar)-1,8,9-Trihydroxy-1,4,7-Trimethyl-5,6-Dioxo-2,3,3A,4,5,6,9,9A-Octahydro-1H-Cyclopenta[B]Naphthalen-4-Yl]Propylidene}-5-Heptenoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H36O7 |
| IUPAC Name | (2z)-2-[3-[(1s,3ar,4r,9s,9ar)-1,8,9-trihydroxy-1,4,7-trimethyl-5,6-dioxo-3,3a,9,9a-tetrahydro-2h-cyclopenta[b]naphthalen-4-yl]propylidene]-6-methyl-hept-5-enoic acid |
| Molecular Mass | 472.571 g·mol−1 |
| Heat of Formation | -1241.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.80 ± 1.08 D |
| Volume | 577.78 Å 3 |
| Surface Area | 457.72 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | 1.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VEDHTPZUNFZLHZ-AWSNYJMZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |