(2S,3R,5R,6R)-2-methyl-6-(28-methylnonacosan-2-yloxy)oxane-3,5-diol

Systemtic Name: (2S,3R,5R,6R)-2-methyl-6-(28-methylnonacosan-2-yloxy)oxane-3,5-diol Openeye Name: (2R,3R,5R,6S)-2-(1,27-dimethyloctacosoxy)-6-methyl-tetrahydropyran-3,5-diol CAS Name: (2S,3R,5R,6R)-2-methyl-6-(28-methylnonacosan-2-yloxy)oxane-3,5-diol IUPAC Name: (2S,3R,5R,6R)-2-methyl-6-(28-methylnonacosan-2-yloxy)oxane-3,5-diol Traditional Name: (2R,3R,5R,6S)-2-(1,27-dimethyloctacosoxy)-6-methyl-tetrahydropyran-3,5-diol Formula: C36H72O4 MolecularWeight: 568.95448

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C(O1)OC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C)O)O

Isomeric SMILES

C[C@H]1[C@@H](C[C@H]([C@@H](O1)OC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C)O)O

InChI

InChI=1S/C36H72O4/c1-31(2)28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-32(3)39-36-35(38)30-34(37)33(4)40-36/h31-38H,5-30H2,1-4H3/t32?,33-,34+,35+,36+/m0/s1