(phenylmethyl) (2S,3S,5R)-2-hexyl-5-(oxan-2-yloxy)-3-phenylmethoxy-hexadecanoate

Systemtic Name: (phenylmethyl) (2S,3S,5R)-2-hexyl-5-(oxan-2-yloxy)-3-phenylmethoxy-hexadecanoate Openeye Name: benzyl (2S,3S,5R)-3-benzyloxy-2-hexyl-5-tetrahydropyran-2-yloxy-hexadecanoate CAS Name: (2S,3S,5R)-2-hexyl-5-(2-oxanyloxy)-3-phenylmethoxyhexadecanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S,5R)-2-hexyl-5-(oxan-2-yloxy)-3-phenylmethoxyhexadecanoate Traditional Name: (2S,3S,5R)-3-benzoxy-2-hexyl-5-tetrahydropyran-2-yloxy-palmitic acid benzyl ester Formula: C41H64O5 MolecularWeight: 636.94386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OC3CCCCO3

Isomeric SMILES

CCCCCCCCCCC[C@H](C[C@@H]([C@H](CCCCCC)C(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OC3CCCCO3

InChI

InChI=1S/C41H64O5/c1-3-5-7-9-10-11-12-13-20-28-37(46-40-30-22-23-31-43-40)32-39(44-33-35-24-16-14-17-25-35)38(29-21-8-6-4-2)41(42)45-34-36-26-18-15-19-27-36/h14-19,24-27,37-40H,3-13,20-23,28-34H2,1-2H3/t37-,38+,39+,40?/m1/s1