rel-(5xi,10xi)-20-ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-aminobenzoate
Chemical Structure Depiction of
rel-(5xi,10xi)-20-ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-aminobenzoate
rel-(5xi,10xi)-20-ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-aminobenzoate
Compound characteristics
| Compound ID: | N060-0121 |
| Compound Name: | rel-(5xi,10xi)-20-ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-aminobenzoate |
| Molecular Weight: | 542.67 |
| Molecular Formula: | C30 H42 N2 O7 |
| Smiles: | CCN1C[C@@]2(CC[C@@H]([C@@]34C5C[C@@H]6[C@H](C[C@]([C@@H](CC23)[C@@H]14)([C@]5([C@H]6OC)O)O)OC)OC)OC(c1ccccc1N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7241 |
| logD: | 1.6726 |
| logSw: | -2.9898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.403 |
| InChI Key: | VSUODASNSRJNCP-RQMGVVHDSA-N |