[rel-(9xi,10xi)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxy-5xi-aconitan-4-yl]methyl 2-aminobenzoate
Chemical Structure Depiction of
[rel-(9xi,10xi)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxy-5xi-aconitan-4-yl]methyl 2-aminobenzoate
[rel-(9xi,10xi)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxy-5xi-aconitan-4-yl]methyl 2-aminobenzoate
Compound characteristics
| Compound ID: | N060-0122 |
| Compound Name: | [rel-(9xi,10xi)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxy-5xi-aconitan-4-yl]methyl 2-aminobenzoate |
| Molecular Weight: | 586.73 |
| Molecular Formula: | C32 H46 N2 O8 |
| Smiles: | CCN1C[C@@]2(CC[C@@H]([C@@]34C5C[C@@H]6[C@H](C[C@@](C5[C@H]6OC)([C@]([C@@H]14)([C@H](C23)OC)O)O)OC)OC)COC(c1ccccc1N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.762 |
| logD: | 1.4494 |
| logSw: | -2.9762 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.074 |
| InChI Key: | NNDHDYDFEDRMGH-FNXYGKILSA-N |