1-[(2S,4S,5R)-5-oxidanyl-2-phenyl-1,3-dioxan-4-yl]pentadecan-1-one

Systemtic Name: 1-[(2S,4S,5R)-5-oxidanyl-2-phenyl-1,3-dioxan-4-yl]pentadecan-1-one Openeye Name: 1-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]pentadecan-1-one CAS Name: 1-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-1-pentadecanone IUPAC Name: 1-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]pentadecan-1-one Traditional Name: 1-[(2S,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]pentadecan-1-one Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)C1C(COC(O1)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)[C@@H]1[C@@H](CO[C@@H](O1)C2=CC=CC=C2)O

InChI

InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(26)24-23(27)20-28-25(29-24)21-17-14-13-15-18-21/h13-15,17-18,23-25,27H,2-12,16,19-20H2,1H3/t23-,24-,25+/m1/s1