[(1S,6S,7R,8R,8aR)-1,6,7-tris(oxidanyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] 2-ethylbutanoate

Systemtic Name: [(1S,6S,7R,8R,8aR)-1,6,7-tris(oxidanyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] 2-ethylbutanoate Openeye Name: [(1S,6S,7R,8R,8aR)-1,6,7-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [(1S,6S,7R,8R,8aR)-1,6,7-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] ester IUPAC Name: [(1S,6S,7R,8R,8aR)-1,6,7-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [(1S,6S,7R,8R,8aR)-1,6,7-trihydroxyindolizidin-8-yl] ester Formula: C14H25NO5 MolecularWeight: 287.352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1C2C(CCN2CC(C1O)O)O

Isomeric SMILES

CCC(CC)C(=O)O[C@@H]1[C@H]2[C@H](CCN2C[C@@H]([C@H]1O)O)O

InChI

InChI=1S/C14H25NO5/c1-3-8(4-2)14(19)20-13-11-9(16)5-6-15(11)7-10(17)12(13)18/h8-13,16-18H,3-7H2,1-2H3/t9-,10-,11+,12+,13+/m0/s1