[(2R,3R,4R,5S,6S)-3-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[1-oxidanyl-2-[(2E,4Z)-8-oxidanyldeca-2,4-dienoyl]oxy-ethyl]oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)-4,6-bis(oxidanyl)phenyl]-5-oxidanyl-oxan-4-yl] (2E,4E,8E,10E)-7-oxidanylhexadeca-2,4,8,10-tetraenoate

Systemtic Name: [(2R,3R,4R,5S,6S)-3-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[1-oxidanyl-2-[(2E,4Z)-8-oxidanyldeca-2,4-dienoyl]oxy-ethyl]oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(hydroxymethyl)-4,6-bis(oxidanyl)phenyl]-5-oxidanyl-oxan-4-yl] (2E,4E,8E,10E)-7-oxidanylhexadeca-2,4,8,10-tetraenoate Openeye Name: [(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[1-hydroxy-2-[(2E,4Z)-8-hydroxydeca-2,4-dienoyl]oxy-ethyl]tetrahydrofuran-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate CAS Name: (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid [(2S,3S,4R,5R,6R)-5-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[1-hydroxy-2-[(2E,4Z)-8-hydroxy-1-oxodeca-2,4-dienoxy]ethyl]-2-oxolanyl]oxy]-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[1-hydroxy-2-[(2E,4Z)-8-hydroxydeca-2,4-dienoyl]oxyethyl]oxolan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate Traditional Name: (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid [(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[1-hydroxy-2-[(2E,4Z)-8-hydroxydeca-2,4-dienoyl]oxy-ethyl]tetrahydrofuran-2-yl]oxy-2-(2,4-dihydroxy-6-methylol-phenyl)-3-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C45H64O17 MolecularWeight: 876.97946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC=CC(CC=CC=CC(=O)OC1C(C(OC(C1OC2C(C(C(O2)C(COC(=O)C=CC=CCCC(CC)O)O)O)O)CO)C3=C(C=C(C=C3CO)O)O)O)O

Isomeric SMILES

CCCCC/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H](O2)C(COC(=O)/C=C/C=C\CCC(CC)O)O)O)O)CO)C3=C(C=C(C=C3CO)O)O)O)O

InChI

InChI=1S/C45H64O17/c1-3-5-6-7-8-9-14-19-30(49)20-15-12-17-22-36(54)60-44-40(57)43(37-28(25-46)23-31(50)24-32(37)51)59-34(26-47)42(44)62-45-39(56)38(55)41(61-45)33(52)27-58-35(53)21-16-11-10-13-18-29(48)4-2/h8-12,14-17,19,21-24,29-30,33-34,38-52,55-57H,3-7,13,18,20,25-27H2,1-2H3/b9-8+,11-10-,15-12+,19-14+,21-16+,22-17+/t29?,30?,33?,34-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1