(2R)-2-Hydroxy-3-[(2S,5R,6R,8S)-5-Hydroxy-8-{(2R,3E)-4-[(2R,4A'R,5R,6'S,8'R,8A'S)-8'-Hydroxy-6'-{(1S,3S)-1-Hydroxy-3-[(2S,6R,11S)-11-Methyl-1,7-Dioxaspiro[5.5]Undec-2-Yl]Butyl}-7'-Methyleneoctahydro-3H,3'H-Spiro[Furan-2,2'-Pyrano[3,2-B]Pyran]-5-Yl]-3-Buten-2-Yl}-10-Methyl-1,7-Dioxaspiro[5.5]Undec-10-En-2-Yl]-2-Methylpropanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C44H68O13 |
| IUPAC Name | 2-hydroxy-3-[11-hydroxy-2-[(e)-3-[4-hydroxy-2-[1-hydroxy-3-(11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4h-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methyl-propanoic acid |
| Molecular Mass | 805.003 g·mol−1 |
| Heat of Formation | -2667.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.07 ± 1.08 D |
| Volume | 1003.05 Å 3 |
| Surface Area | 681.02 Å 2 |
| HOMO Energy | -9.41 ± 0.55 eV |
| LUMO Energy | 0.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BRFKTXCAUCYQBT-AKHROESGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |