(2Z)-2-[(1R)-3-{[(3R,4S,5R,8S,9S,12R)-12-{(2S,3S,6R,8S,9R)-3,9-Dimethyl-8-[(3S)-3-Methyl-4-Oxopentyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}-5,9-Dihydroxy-4-Methoxy-2,8-Dimethyl-7-Oxotridecan-3-Yl]Oxy}-1-Hydroxy-3-Oxopropyl]-3-Methylbut-2-Enedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C41H68O14 |
| IUPAC Name | (z)-2-[3-[10-[3,9-dimethyl-8-(3-methyl-4-oxo-pentyl)-1,7-dioxaspiro[5.5]undecan-2-yl]-3,7-dihydroxy-1-isopropyl-2-methoxy-6-methyl-5-oxo-undecoxy]-1-hydroxy-3-oxo-propyl]-3-methyl-but-2-enedioic acid |
| Molecular Mass | 784.970 g·mol−1 |
| Heat of Formation | -3017.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.65 ± 1.08 D |
| Volume | 1006.59 Å 3 |
| Surface Area | 774.32 Å 2 |
| HOMO Energy | -9.59 ± 0.55 eV |
| LUMO Energy | -1.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FLYBGKSOQRCWMB-SPVJCFRKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |