rel-(1R,2S,4S,5R,8R,12S,16R,19S,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docosan-21-yl acetate
Chemical Structure Depiction of
rel-(1R,2S,4S,5R,8R,12S,16R,19S,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docosan-21-yl acetate
rel-(1R,2S,4S,5R,8R,12S,16R,19S,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docosan-21-yl acetate
Compound characteristics
| Compound ID: | N038-0222 |
| Compound Name: | rel-(1R,2S,4S,5R,8R,12S,16R,19S,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docosan-21-yl acetate |
| Molecular Weight: | 507.62 |
| Molecular Formula: | C27 H41 N O8 |
| Smiles: | CCN1C[C@]2(C)CC[C@@H]([C@@]34C2[C@@H]([C@@]2([C@@H]13)[C@]1(C[C@@H]([C@H]3C[C@@]4(C1[C@H]3OC)O)OC)OCO2)OC(C)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2776 |
| logD: | 0.7052 |
| logSw: | -1.5211 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.176 |
| InChI Key: | DTTPWCNKTMQMTE-XFDYVARQSA-N |