3-[(E)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxytridec-5-en-7,9,11-triynoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(E)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxytridec-5-en-7,9,11-triynoxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[(E)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxytridec-5-en-7,9,11-triynoxy]propanoic acid CAS Name: 3-oxo-3-[(E)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]tridec-5-en-7,9,11-triynoxy]propanoic acid IUPAC Name: 3-oxo-3-[(E)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytridec-5-en-7,9,11-triynoxy]propanoic acid Traditional Name: 3-keto-3-[(E)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxytridec-5-en-7,9,11-triynoxy]propionic acid Formula: C22H26O10 MolecularWeight: 450.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CC#CC=CCCC(COC(=O)CC(=O)O)OC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CC#CC#CC#C/C=C/CCC(COC(=O)CC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C22H26O10/c1-2-3-4-5-6-7-8-9-10-11-15(14-30-18(26)12-17(24)25)31-22-21(29)20(28)19(27)16(13-23)32-22/h8-9,15-16,19-23,27-29H,10-14H2,1H3,(H,24,25)/b9-8+/t15?,16-,19-,20+,21-,22-/m1/s1