2-[(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-Dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-Hydroxy-3-Methoxycyclohexyl]-1-Propen-2-Yl}-23,25-Dimethoxy-13,19,21,27-Tetramethyl-2,3,10,16-Tetraoxo-11,28-Dioxa-4-Azatricyclo[22.3.1.0~4,9~]Octacos-18-En-17-Yl]Ethyl Benzylcarbamate
Properties
| Property | Value |
|---|---|
| Formula | C51H76N2O14 |
| IUPAC Name | 2-[(1r,9s,12s,13r,14s,17r,18e,21s,23s,24r,25s,27r)-1,14-dihydroxy-12-[(e)-2-[(1r,3r,4r)-4-hydroxy-3-methoxy-cyclohexyl]-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-17-yl]ethyl n-benzylcarbamate |
| Molecular Mass | 941.154 g·mol−1 |
| Heat of Formation | -2619.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.09 ± 1.08 D |
| Volume | 1173.03 Å 3 |
| Surface Area | 861.16 Å 2 |
| HOMO Energy | -9.16 ± 0.55 eV |
| LUMO Energy | -0.45 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| InChIKey | JEQCTALUECDHLT-VQBDMAPKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |