3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-phenylmethoxy-7-propan-2-yloxy-chromen-2-one

Systemtic Name: 3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-phenylmethoxy-7-propan-2-yloxy-chromen-2-one Openeye Name: 4-benzyloxy-7-isopropoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one CAS Name: 4-phenylmethoxy-7-propan-2-yloxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one IUPAC Name: 4-phenylmethoxy-7-propan-2-yloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one Traditional Name: 4-benzoxy-7-isopropoxy-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-coumarin Formula: C25H28O10 MolecularWeight: 488.48382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28O10/c1-13(2)32-15-8-9-16-17(10-15)33-24(30)23(22(16)31-12-14-6-4-3-5-7-14)35-25-21(29)20(28)19(27)18(11-26)34-25/h3-10,13,18-21,25-29H,11-12H2,1-2H3