everninomycins structure
|
Common Name | everninomycins | ||
|---|---|---|---|---|
| CAS Number | 53024-98-9 | Molecular Weight | 1631.409 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C70H97Cl2NO38 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | (2R,3R,4R,6S)-6-{[(3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,4S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran] |
|---|---|
| Synonym | More Synonyms |
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Molecular Formula | C70H97Cl2NO38 |
| Molecular Weight | 1631.409 |
| Exact Mass | 1629.506592 |
| LogP | 16.72 |
| Index of Refraction | 1.626 |
| InChIKey | UPADRKHAIMTUCC-JBNGTWNESA-N |
| SMILES | COCC1OC(OC2OCC3OC4(OCC(OC(=O)c5c(C)cc(O)cc5O)C5OCOC54)OC3C2O)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2OC(C)C3OC4(CC(O)C(OC5CC(OC6CC(C)([N+](=O)[O-])C(OC)C(C)O6)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3(C)C2O)C1O |
| (2R,3R,4R,6S)-6-{[(3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,4S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran] |