[1-octanoyloxy-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(4-oxidanylidenepentanoyloxy)-6-(4-oxidanylidenepentanoyloxymethyl)oxan-2-yl]oxy-propan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate

Systemtic Name: [1-octanoyloxy-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(4-oxidanylidenepentanoyloxy)-6-(4-oxidanylidenepentanoyloxymethyl)oxan-2-yl]oxy-propan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate Openeye Name: [1-(octanoyloxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-tris(4-oxopentanoyloxy)-6-(4-oxopentanoyloxymethyl)tetrahydropyran-2-yl]oxy-ethyl] (9E,12E,15E)-octadeca-9,12,15-trienoate CAS Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid [1-(1-oxooctoxy)-3-[[(2R,3R,4S,5S,6R)-3,4,5-tris(1,4-dioxopentoxy)-6-(1,4-dioxopentoxymethyl)-2-oxanyl]oxy]propan-2-yl] ester IUPAC Name: [1-octanoyloxy-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(4-oxopentanoyloxy)-6-(4-oxopentanoyloxymethyl)oxan-2-yl]oxypropan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate Traditional Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid [1-(caprylyloxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-tris(4-ketopentanoyloxy)-6-(4-ketopentanoyloxymethyl)tetrahydropyran-2-yl]oxy-ethyl] ester Formula: C55H84O18 MolecularWeight: 1033.24466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC(=O)CCC(=O)C)OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)OC(=O)CCCCCCCC=CCC=CCC=CCC

Isomeric SMILES

CCCCCCCC(=O)OCC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCC(=O)C)OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)OC(=O)CCCCCCC/C=C/C/C=C/C/C=C/CC

InChI

InChI=1S/C55H84O18/c1-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-48(62)69-44(37-66-46(60)27-25-23-12-10-8-2)38-68-55-54(73-51(65)36-32-43(6)59)53(72-50(64)35-31-42(5)58)52(71-49(63)34-30-41(4)57)45(70-55)39-67-47(61)33-29-40(3)56/h9,11,14-15,17-18,44-45,52-55H,7-8,10,12-13,16,19-39H2,1-6H3/b11-9+,15-14+,18-17+/t44?,45-,52+,53+,54-,55-/m1/s1