3-(3-bromanyl-1-benzofuran-5-yl)-1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-phenyl]propan-1-one

Systemtic Name: 3-(3-bromanyl-1-benzofuran-5-yl)-1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-phenyl]propan-1-one Openeye Name: 3-(3-bromobenzofuran-5-yl)-1-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one CAS Name: 3-(3-bromo-5-benzofuranyl)-1-[2-hydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-propanone IUPAC Name: 3-(3-bromo-1-benzofuran-5-yl)-1-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one Traditional Name: 3-(3-bromobenzofuran-5-yl)-1-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]propan-1-one Formula: C23H23BrO9 MolecularWeight: 523.32732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)CCC3=CC4=C(C=C3)OC=C4Br)O

Isomeric SMILES

C1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)CCC3=CC4=C(C=C3)OC=C4Br)O

InChI

InChI=1S/C23H23BrO9/c24-13-10-31-16-7-5-11(8-12(13)16)4-6-15(27)19-14(26)2-1-3-17(19)32-23-22(30)21(29)20(28)18(9-25)33-23/h1-3,5,7-8,10,18,20-23,25-26,28-30H,4,6,9H2/t18-,20-,21+,22-,23-/m1/s1