methyl 8-[(2R,3R,5S)-3-acetyloxy-5-[(1S)-1-oxidanylhexyl]oxolan-2-yl]octanoate

Systemtic Name: methyl 8-[(2R,3R,5S)-3-acetyloxy-5-[(1S)-1-oxidanylhexyl]oxolan-2-yl]octanoate Openeye Name: methyl 8-[(2R,3R,5S)-3-acetoxy-5-[(1S)-1-hydroxyhexyl]tetrahydrofuran-2-yl]octanoate CAS Name: 8-[(2R,3R,5S)-3-acetyloxy-5-[(1S)-1-hydroxyhexyl]-2-oxolanyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(2R,3R,5S)-3-acetyloxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-yl]octanoate Traditional Name: 8-[(2R,3R,5S)-3-acetoxy-5-[(1S)-1-hydroxyhexyl]tetrahydrofuran-2-yl]caprylic acid methyl ester Formula: C21H38O6 MolecularWeight: 386.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CC(C(O1)CCCCCCCC(=O)OC)OC(=O)C)O

Isomeric SMILES

CCCCC[C@@H]([C@@H]1C[C@H]([C@H](O1)CCCCCCCC(=O)OC)OC(=O)C)O

InChI

InChI=1S/C21H38O6/c1-4-5-9-12-17(23)19-15-20(26-16(2)22)18(27-19)13-10-7-6-8-11-14-21(24)25-3/h17-20,23H,4-15H2,1-3H3/t17-,18+,19-,20+/m0/s1