(2S,3R,4R)-4-[(2S,5R,7S,8R,9S)-9-Hydroxy-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyltetrahydro-2H-Pyran-2-Yl]-2,3'-Dimethyloctahydro-2,2'-Bifuran-5-Yl}-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Dec-7-Yl]-2-Methyl-3-(Propionyloxy)Pentanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C37H62O12 |
| IUPAC Name | (2s,3r,4r)-4-[(2s,5r,7s,8r,9s)-7-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxy-pentanoic acid |
| Molecular Mass | 698.881 g·mol−1 |
| Heat of Formation | -2740.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.79 ± 1.08 D |
| Volume | 867.18 Å 3 |
| Surface Area | 576.41 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | 0.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZNBNBTIDJSKEAM-NISBWGIBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |