[(2S,3S,4R,5S)-5-[(2S,3R,4R,5R,6R)-2-methyl-4-oxidanyl-5-(phenylcarbonyloxy)-6-prop-2-enoxy-oxan-3-yl]oxy-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,4R,5S)-5-[(2S,3R,4R,5R,6R)-2-methyl-4-oxidanyl-5-(phenylcarbonyloxy)-6-prop-2-enoxy-oxan-3-yl]oxy-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,4R,5S)-5-[(2S,3R,4R,5R,6R)-6-allyloxy-5-benzoyloxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,4R,5S)-3,4-dibenzoyloxy-5-[[(2S,3R,4R,5R,6R)-5-benzoyloxy-4-hydroxy-2-methyl-6-prop-2-enoxy-3-oxanyl]oxy]-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,4R,5S)-3,4-dibenzoyloxy-5-[(2S,3R,4R,5R,6R)-5-benzoyloxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl]oxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,4R,5S)-5-[(2S,3R,4R,5R,6R)-6-allyloxy-5-benzoyloxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C42H40O13 MolecularWeight: 752.7592

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC=C)OC(=O)C2=CC=CC=C2)O)OC3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC=C)OC(=O)C2=CC=CC=C2)O)O[C@H]3[C@@H]([C@H]([C@@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C42H40O13/c1-3-24-48-41-35(53-39(46)29-20-12-6-13-21-29)32(43)33(26(2)50-41)55-42-36(54-40(47)30-22-14-7-15-23-30)34(52-38(45)28-18-10-5-11-19-28)31(51-42)25-49-37(44)27-16-8-4-9-17-27/h3-23,26,31-36,41-43H,1,24-25H2,2H3/t26-,31-,32+,33-,34-,35+,36+,41+,42-/m0/s1