ethyl (2S,3S,5R)-3-acetyloxy-2-hexyl-5-(oxan-2-yloxy)hexadecanoate

Systemtic Name: ethyl (2S,3S,5R)-3-acetyloxy-2-hexyl-5-(oxan-2-yloxy)hexadecanoate Openeye Name: ethyl (2S,3S,5R)-3-acetoxy-2-hexyl-5-tetrahydropyran-2-yloxy-hexadecanoate CAS Name: (2S,3S,5R)-3-acetyloxy-2-hexyl-5-(2-oxanyloxy)hexadecanoic acid ethyl ester IUPAC Name: ethyl (2S,3S,5R)-3-acetyloxy-2-hexyl-5-(oxan-2-yloxy)hexadecanoate Traditional Name: (2S,3S,5R)-3-acetoxy-2-hexyl-5-tetrahydropyran-2-yloxy-palmitic acid ethyl ester Formula: C31H58O6 MolecularWeight: 526.78862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OCC)OC(=O)C)OC1CCCCO1

Isomeric SMILES

CCCCCCCCCCC[C@H](C[C@@H]([C@H](CCCCCC)C(=O)OCC)OC(=O)C)OC1CCCCO1

InChI

InChI=1S/C31H58O6/c1-5-8-10-12-13-14-15-16-17-21-27(37-30-23-19-20-24-35-30)25-29(36-26(4)32)28(31(33)34-7-3)22-18-11-9-6-2/h27-30H,5-25H2,1-4H3/t27-,28+,29+,30?/m1/s1