(2S,3R,4R,5R,6R)-6-[(Z)-24-[(2R)-2-(carboxymethyl)-1-methyl-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]-24-oxidanylidene-tetracos-11-enoxy]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3R,4R,5R,6R)-6-[(Z)-24-[(2R)-2-(carboxymethyl)-1-methyl-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]-24-oxidanylidene-tetracos-11-enoxy]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3R,4R,5R,6R)-6-[(Z)-24-[(2R)-2-(carboxymethyl)-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-4-yl]-24-oxo-tetracos-11-enoxy]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3R,4R,5R,6R)-6-[(Z)-24-[(2R)-2-(carboxymethyl)-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-4-yl]-24-oxotetracos-11-enoxy]-4,5-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3R,4R,5R,6R)-6-[(Z)-24-[(2R)-2-(carboxymethyl)-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-4-yl]-24-oxotetracos-11-enoxy]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid Traditional Name: (2S,3R,4R,5R,6R)-6-[(Z)-24-[(5R)-5-(carboxymethyl)-2-hydroxy-4-keto-1-methyl-2-pyrrolin-3-yl]-24-keto-tetracos-11-enoxy]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid Formula: C43H71NO17 MolecularWeight: 874.02034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)C(=C1O)C(=O)CCCCCCCCCCCC=CCCCCCCCCCCOC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)CC(=O)O

Isomeric SMILES

CN1[C@@H](C(=O)C(=C1O)C(=O)CCCCCCCCCCC/C=C\CCCCCCCCCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CC(=O)O

InChI

InChI=1S/C43H71NO17/c1-44-27(25-30(47)48)32(49)31(40(44)55)28(46)23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-58-42-37(54)35(52)38(39(61-42)41(56)57)60-43-36(53)34(51)33(50)29(26-45)59-43/h2,4,27,29,33-39,42-43,45,50-55H,3,5-26H2,1H3,(H,47,48)(H,56,57)/b4-2-/t27-,29-,33-,34+,35-,36-,37-,38-,39+,42-,43+/m1/s1