[7-decoxy-2-oxidanylidene-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-chromen-3-yl] benzoate

Systemtic Name: [7-decoxy-2-oxidanylidene-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-chromen-3-yl] benzoate Openeye Name: [7-decoxy-2-oxo-4-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-chromen-3-yl] benzoate CAS Name: benzoic acid [7-decoxy-2-oxo-4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1-benzopyran-3-yl] ester IUPAC Name: [7-decoxy-2-oxo-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxychromen-3-yl] benzoate Traditional Name: benzoic acid [7-decoxy-2-keto-4-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-chromen-3-yl] ester Formula: C40H48O15 MolecularWeight: 768.80012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)OC(=O)C3=CC=CC=C3)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)OC(=O)C3=CC=CC=C3)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C40H48O15/c1-6-7-8-9-10-11-12-16-21-47-29-19-20-30-31(22-29)52-39(46)36(54-38(45)28-17-14-13-15-18-28)33(30)55-40-37(51-27(5)44)35(50-26(4)43)34(49-25(3)42)32(53-40)23-48-24(2)41/h13-15,17-20,22,32,34-35,37,40H,6-12,16,21,23H2,1-5H3