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

Systemtic Name: 1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-phenyl]-3-(4-methoxyphenyl)propan-1-one Openeye Name: 1-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-methoxyphenyl)propan-1-one CAS Name: 1-[4-hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-(4-methoxyphenyl)propan-1-one Formula: C22H26O9 MolecularWeight: 434.43644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C22H26O9/c1-29-14-6-2-12(3-7-14)4-9-16(25)15-8-5-13(24)10-17(15)30-22-21(28)20(27)19(26)18(11-23)31-22/h2-3,5-8,10,18-24,26-28H,4,9,11H2,1H3/t18-,19-,20+,21-,22-/m1/s1