[(2R,3R,4S,5R,6S)-6-[8-hexanoyloxy-3-(4-hexanoyloxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6S)-6-[8-hexanoyloxy-3-(4-hexanoyloxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[8-hexanoyloxy-3-(4-hexanoyloxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[[4-oxo-8-(1-oxohexoxy)-3-[4-(1-oxohexoxy)phenyl]-1-benzopyran-7-yl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[8-hexanoyloxy-3-(4-hexanoyloxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[8-caproyloxy-3-(4-caproyloxyphenyl)-4-keto-chromen-7-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C61H56O16 MolecularWeight: 1045.08774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC(=O)CCCCC)OC4C(C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC(=O)CCCCC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C61H56O16/c1-3-5-11-29-49(62)71-44-33-31-39(32-34-44)46-37-69-52-45(51(46)64)35-36-47(53(52)74-50(63)30-12-6-4-2)72-61-56(77-60(68)43-27-19-10-20-28-43)55(76-59(67)42-25-17-9-18-26-42)54(75-58(66)41-23-15-8-16-24-41)48(73-61)38-70-57(65)40-21-13-7-14-22-40/h7-10,13-28,31-37,48,54-56,61H,3-6,11-12,29-30,38H2,1-2H3/t48-,54-,55+,56-,61-/m1/s1