[(1S,2R,3S,4R,5S,6S)-2,3,4,5-tetraacetyloxy-6-[(2S,3S,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-cyclohexyl] tetradecanoate

Systemtic Name: [(1S,2R,3S,4R,5S,6S)-2,3,4,5-tetraacetyloxy-6-[(2S,3S,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-cyclohexyl] tetradecanoate Openeye Name: [(1S,2R,3S,4R,5S,6S)-2,3,4,5-tetraacetoxy-6-[(2S,3S,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-cyclohexyl] tetradecanoate CAS Name: tetradecanoic acid [(1S,2R,3S,4R,5S,6S)-2,3,4,5-tetraacetyloxy-6-[[(2S,3S,4S,5R)-3,4,5-triacetyloxy-2-oxanyl]oxy]cyclohexyl] ester IUPAC Name: [(1S,2R,3S,4R,5S,6S)-2,3,4,5-tetraacetyloxy-6-[(2S,3S,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxycyclohexyl] tetradecanoate Traditional Name: myristic acid [(1S,2R,3S,4R,5S,6S)-2,3,4,5-tetraacetoxy-6-[(2S,3S,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-cyclohexyl] ester Formula: C39H60O18 MolecularWeight: 816.8829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]2[C@H]([C@H]([C@@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C39H60O18/c1-9-10-11-12-13-14-15-16-17-18-19-20-30(47)56-36-34(53-26(6)44)32(51-24(4)42)33(52-25(5)43)35(54-27(7)45)37(36)57-39-38(55-28(8)46)31(50-23(3)41)29(21-48-39)49-22(2)40/h29,31-39H,9-21H2,1-8H3/t29-,31+,32+,33+,34-,35-,36-,37+,38+,39+/m1/s1