(6S)-7-[(4S,6R)-6-heptyl-2,2-dimethyl-1,3-dioxan-4-yl]-6-phenylmethoxy-hept-1-en-4-ol

Systemtic Name: (6S)-7-[(4S,6R)-6-heptyl-2,2-dimethyl-1,3-dioxan-4-yl]-6-phenylmethoxy-hept-1-en-4-ol Openeye Name: (6S)-6-benzyloxy-7-[(4S,6R)-6-heptyl-2,2-dimethyl-1,3-dioxan-4-yl]hept-1-en-4-ol CAS Name: (6S)-7-[(4S,6R)-6-heptyl-2,2-dimethyl-1,3-dioxan-4-yl]-6-phenylmethoxy-1-hepten-4-ol IUPAC Name: (6S)-7-[(4S,6R)-6-heptyl-2,2-dimethyl-1,3-dioxan-4-yl]-6-phenylmethoxyhept-1-en-4-ol Traditional Name: (6S)-6-benzoxy-7-[(4S,6R)-6-heptyl-2,2-dimethyl-1,3-dioxan-4-yl]hept-1-en-4-ol Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(OC(O1)(C)C)CC(CC(CC=C)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC[C@@H]1C[C@@H](OC(O1)(C)C)C[C@H](CC(CC=C)O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H44O4/c1-5-7-8-9-13-17-24-19-26(31-27(3,4)30-24)20-25(18-23(28)14-6-2)29-21-22-15-11-10-12-16-22/h6,10-12,15-16,23-26,28H,2,5,7-9,13-14,17-21H2,1,3-4H3/t23?,24-,25+,26-/m1/s1