(6R,7E)-6-Methyl-8-[(1S,4Z,6Z,8E,10R,12R,14R,16S,17E,20R,21R,22S,24R,25S,26S,27E,31E,34S,36S,40R)-22,25,26-Trihydroxy-21,40-Dimethyl-3-Oxo-2,11,15,35,39-Pentaoxapentacyclo[32.2.2.1~12,16~.1~20,24~.0~10,14~]Tetraconta-4,6,8,17,27,31,37-Heptaen-36-Yl]-7-Nonenoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C47H66O11 |
| IUPAC Name | (6r,7e)-6-methyl-8-[(1s,4z,6z,8e,10r,12r,14r,16s,17e,20r,21r,22s,24r,25s,26s,27e,31e,34s,36s,40r)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1 12,16 .1 20,24 .0 10,14 ]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]-7-nonenoic acid |
| Molecular Mass | 807.020 g·mol−1 |
| Heat of Formation | -1913.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.72 ± 1.08 D |
| Volume | 1026.1 Å 3 |
| Surface Area | 674.11 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | -0.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OTABDKFPJQZJRD-QLGZCQHWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |