5-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-2,2-bis(3-methoxy-4-oxidanyl-phenyl)-1,3-dioxin-4-one

Systemtic Name: 5-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-2,2-bis(3-methoxy-4-oxidanyl-phenyl)-1,3-dioxin-4-one Openeye Name: 2,2-bis(4-hydroxy-3-methoxy-phenyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-1,3-dioxin-4-one CAS Name: 2,2-bis(4-hydroxy-3-methoxyphenyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1,3-dioxin-4-one IUPAC Name: 2,2-bis(4-hydroxy-3-methoxyphenyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3-dioxin-4-one Traditional Name: 2,2-bis(4-hydroxy-3-methoxy-phenyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-1,3-dioxin-4-one Formula: C25H28O13 MolecularWeight: 536.48202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2(OC=C(C(=O)O2)COC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2(OC=C(C(=O)O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC)O

InChI

InChI=1S/C25H28O13/c1-33-17-7-13(3-5-15(17)27)25(14-4-6-16(28)18(8-14)34-2)36-11-12(23(32)38-25)10-35-24-22(31)21(30)20(29)19(9-26)37-24/h3-8,11,19-22,24,26-31H,9-10H2,1-2H3/t19-,20-,21+,22-,24-/m1/s1