[(7Z,10Z)-hexadeca-7,10-dienoyl] (9Z,12Z,15Z)-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-propan-2-yl-octadeca-9,12,15-trieneperoxoate

Systemtic Name: [(7Z,10Z)-hexadeca-7,10-dienoyl] (9Z,12Z,15Z)-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-propan-2-yl-octadeca-9,12,15-trieneperoxoate Openeye Name: [(7Z,10Z)-hexadeca-7,10-dienoyl] (9Z,12Z,15Z)-2-isopropyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-octadeca-9,12,15-trieneperoxoate CAS Name: (9Z,12Z,15Z)-2-propan-2-yl-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadeca-9,12,15-trieneperoxoic acid [(7Z,10Z)-1-oxohexadeca-7,10-dienyl] ester IUPAC Name: [(7Z,10Z)-hexadeca-7,10-dienoyl] (9Z,12Z,15Z)-2-propan-2-yl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-9,12,15-trieneperoxoate Traditional Name: (9Z,12Z,15Z)-2-isopropyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-octadeca-9,12,15-trieneperoxoic acid [(7Z,10Z)-hexadeca-7,10-dienoyl] ester Formula: C43H72O10 MolecularWeight: 749.02578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCC(=O)OOC(=O)C(C(C)C)C(CCCCCC=CCC=CCC=CCC)OC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCC(=O)OOC(=O)C(C(C)C)C(CCCCC/C=C\C/C=C\C/C=C\CC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C43H72O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(50-43-41(48)40(47)39(46)36(33-44)51-43)38(34(3)4)42(49)53-52-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,34-36,38-41,43-44,46-48H,5-6,8,10-12,17-18,23-33H2,1-4H3/b9-7-,15-13-,16-14-,21-19-,22-20-/t35?,36-,38?,39+,40+,41-,43-/m1/s1