(1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-2-(7-Carboxyheptyl)-6-Hydroxy-10-Methoxy-9-Methyl-3-Oxo-1,4,8-Trioxaspiro[4.5]Dec-7-Yl]Oxy}Methyl)-9-Formyl-13-Isopropyl-5-Methyltetracyclo[7.4.0.0~2,11~.0~4,8~]Tridec-12-Ene-1-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C37H54O12 |
| IUPAC Name | (1r,2s,4r,5r,8r,9s,11r)-2-({[(2s,5r,6r,7r,9r,10r)-2-(7-carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]dec-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0 2,11 .0 4,8 ]tridec-12-ene-1-carboxylic acid |
| Molecular Mass | 690.817 g·mol−1 |
| Heat of Formation | -2231.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.18 ± 1.08 D |
| Volume | 836.39 Å 3 |
| Surface Area | 649.74 Å 2 |
| HOMO Energy | -9.62 ± 0.55 eV |
| LUMO Energy | 3.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UDEBDAZBOLNLCQ-FTMOPRGTSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |