rel-(9xi,10xi,13xi,17xi)-20-ethyl-1,7,8-trihydroxy-16-methoxy-4-(methoxymethyl)-5xi-aconitan-14-yl acetate
Chemical Structure Depiction of
rel-(9xi,10xi,13xi,17xi)-20-ethyl-1,7,8-trihydroxy-16-methoxy-4-(methoxymethyl)-5xi-aconitan-14-yl acetate
rel-(9xi,10xi,13xi,17xi)-20-ethyl-1,7,8-trihydroxy-16-methoxy-4-(methoxymethyl)-5xi-aconitan-14-yl acetate
Compound characteristics
| Compound ID: | N094-0036 |
| Compound Name: | rel-(9xi,10xi,13xi,17xi)-20-ethyl-1,7,8-trihydroxy-16-methoxy-4-(methoxymethyl)-5xi-aconitan-14-yl acetate |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C25 H39 N O7 |
| Smiles: | CCN1C[C@@]2(CC[C@@H](C34C5CC6[C@H](C[C@@](C5[C@H]6OC(C)=O)([C@](CC23)(C14)O)O)OC)O)COC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4145 |
| logD: | 0.0505 |
| logSw: | -2.0549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.529 |
| InChI Key: | QAFUNFQLCIKXQS-XFDZMRITSA-N |