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

Systemtic Name: (phenylmethyl) (2S,3S,5R)-2-hexyl-3-(oxan-2-yloxy)-5-oxidanyl-hexadecanoate Openeye Name: benzyl (2S,3S,5R)-2-hexyl-5-hydroxy-3-tetrahydropyran-2-yloxy-hexadecanoate CAS Name: (2S,3S,5R)-2-hexyl-5-hydroxy-3-(2-oxanyloxy)hexadecanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S,5R)-2-hexyl-5-hydroxy-3-(oxan-2-yloxy)hexadecanoate Traditional Name: (2S,3S,5R)-2-hexyl-5-hydroxy-3-tetrahydropyran-2-yloxy-palmitic acid benzyl ester Formula: C34H58O5 MolecularWeight: 546.82132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OCC1=CC=CC=C1)OC2CCCCO2)O

Isomeric SMILES

CCCCCCCCCCC[C@H](C[C@@H]([C@H](CCCCCC)C(=O)OCC1=CC=CC=C1)OC2CCCCO2)O

InChI

InChI=1S/C34H58O5/c1-3-5-7-9-10-11-12-13-17-23-30(35)27-32(39-33-25-19-20-26-37-33)31(24-18-8-6-4-2)34(36)38-28-29-21-15-14-16-22-29/h14-16,21-22,30-33,35H,3-13,17-20,23-28H2,1-2H3/t30-,31+,32+,33?/m1/s1