(E)-8-[3-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxycarbonyl-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-1-oxidanylidene-pentan-3-yl]-12-oxidanyl-octadec-9-enoic acid

Systemtic Name: (E)-8-[3-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxycarbonyl-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-1-oxidanylidene-pentan-3-yl]-12-oxidanyl-octadec-9-enoic acid Openeye Name: (E)-8-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxycarbonyl-1-(2-hydroxyethyl)-3-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propyl]-12-hydroxy-octadec-9-enoic acid CAS Name: (E)-8-[3-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy-oxomethyl]-5-hydroxy-1-oxo-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]pentan-3-yl]-12-hydroxy-9-octadecenoic acid IUPAC Name: (E)-8-[3-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxycarbonyl-5-hydroxy-1-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-3-yl]-12-hydroxyoctadec-9-enoic acid Traditional Name: (E)-8-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxycarbonyl-1-(2-hydroxyethyl)-3-keto-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propyl]-12-hydroxy-octadec-9-enoic acid Formula: C36H62O18 MolecularWeight: 782.86668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CC(CCCCCCC(=O)O)C(CCO)(CC(=O)OC1C(C(C(C(O1)CO)O)O)O)C(=O)OC2(C(C(C(O2)CO)O)O)CO)O

Isomeric SMILES

CCCCCCC(C/C=C/C(CCCCCCC(=O)O)C(CCO)(CC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O

InChI

InChI=1S/C36H62O18/c1-2-3-4-8-13-23(41)14-10-12-22(11-7-5-6-9-15-26(42)43)35(16-17-37,34(50)54-36(21-40)32(49)29(46)25(20-39)53-36)18-27(44)52-33-31(48)30(47)28(45)24(19-38)51-33/h10,12,22-25,28-33,37-41,45-49H,2-9,11,13-21H2,1H3,(H,42,43)/b12-10+/t22?,23?,24-,25-,28-,29-,30+,31-,32+,33-,35?,36-/m1/s1