[3-[[3-(4-hydroxyphenyl)propanoylamino]-[(2S,3S,4R,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Systemtic Name: [3-[[3-(4-hydroxyphenyl)propanoylamino]-[(2S,3S,4R,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Openeye Name: [3-[[3-(4-hydroxyphenyl)propanoylamino]-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]methoxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [3-[[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]methoxy]-2-[(9Z,12Z,15Z)-1-oxooctadeca-9,12,15-trienoxy]propyl] ester IUPAC Name: [3-[[3-(4-hydroxyphenyl)propanoylamino]-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]methoxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Traditional Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [3-[[3-(4-hydroxyphenyl)propanoylamino]-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]methoxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] ester Formula: C55H85NO11 MolecularWeight: 936.2635

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(C1C(C(C(C(O1)C)O)O)O)NC(=O)CCC2=CC=C(C=C2)O)OC(=O)CCCCCCCC=CCC=CCC=CCC

Isomeric SMILES

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)NC(=O)CCC2=CC=C(C=C2)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

InChI

InChI=1S/C55H85NO11/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-49(59)64-42-47(67-50(60)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)43-65-55(54-53(63)52(62)51(61)44(3)66-54)56-48(58)41-38-45-36-39-46(57)40-37-45/h6-9,12-15,18-21,36-37,39-40,44,47,51-55,57,61-63H,4-5,10-11,16-17,22-35,38,41-43H2,1-3H3,(H,56,58)/b8-6-,9-7-,14-12-,15-13-,20-18-,21-19-/t44-,47?,51+,52-,53+,54+,55?/m1/s1