(1R,3'r,4R,6S,7R,11Z)-7-Hydroxy-3',6,7,14-Tetramethylspiro[2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-Ene-4,2'-Oxirane]-3,8,17-Trione
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1512570 | |
| PubChem: | 7566707 | |
| IUPAC: | (1R,3'R,4R,6S,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione | |
| Standard InChI: | InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14+,18+,19+/m0/s1 | |
| Standard InChI Key: | CZQLULNMKQAIQL-DCEQPIPLSA-N | |
| SMILES: | CN1CC[C@H]2OC(=O)[C@@]3(O[C@@H]3C)C[C@@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C | |
Molecular propeties
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| AlogP: | 0.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 381.18 | |
| Topological polar surface area: | 106 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.737 | |
| Number of carbons: | 19 | |