rel-(7R,10S,11R,12S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylidene-12-oxo-12lambda~5~-azahexacyclo[8.7.1.1~5,8~.0~1,11~.0~2,8~.0~14,18~]nonadecan-4-one
Chemical Structure Depiction of
rel-(7R,10S,11R,12S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylidene-12-oxo-12lambda~5~-azahexacyclo[8.7.1.1~5,8~.0~1,11~.0~2,8~.0~14,18~]nonadecan-4-one
rel-(7R,10S,11R,12S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylidene-12-oxo-12lambda~5~-azahexacyclo[8.7.1.1~5,8~.0~1,11~.0~2,8~.0~14,18~]nonadecan-4-one
Compound characteristics
| Compound ID: | N038-0221 |
| Compound Name: | rel-(7R,10S,11R,12S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylidene-12-oxo-12lambda~5~-azahexacyclo[8.7.1.1~5,8~.0~1,11~.0~2,8~.0~14,18~]nonadecan-4-one |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C22 H31 N O4 |
| Smiles: | CC[N@@+]1(C[C@]2(C)CC[C@@H](C34C5CC(C6CC5(C[C@@H](C23)C14)[C@@H](C6=C)O)=O)O)[O-] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.351 |
| logD: | 1.351 |
| logSw: | -1.4268 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.056 |
| InChI Key: | YSZTYEFJOQWJGA-BSQXRECTSA-N |