[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6S)-3-acetyloxy-6-methyl-4,5-bis(phenylcarbonyloxy)oxan-2-yl]oxy-2-methyl-6-octoxy-4-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6S)-3-acetyloxy-6-methyl-4,5-bis(phenylcarbonyloxy)oxan-2-yl]oxy-2-methyl-6-octoxy-4-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6S)-3-acetoxy-4,5-dibenzoyloxy-6-methyl-tetrahydropyran-2-yl]oxy-4-benzoyloxy-2-methyl-6-octoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R,6R)-5-[[(2S,3R,4R,5S,6S)-3-acetyloxy-4,5-dibenzoyloxy-6-methyl-2-oxanyl]oxy]-4-benzoyloxy-2-methyl-6-octoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6S)-3-acetyloxy-4,5-dibenzoyloxy-6-methyloxan-2-yl]oxy-4-benzoyloxy-2-methyl-6-octoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6S)-3-acetoxy-4,5-dibenzoyloxy-6-methyl-tetrahydropyran-2-yl]oxy-4-benzoyloxy-2-methyl-6-octoxy-tetrahydropyran-3-yl] ester Formula: C50H56O14 MolecularWeight: 880.97124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC4C(C(C(C(O4)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C

Isomeric SMILES

CCCCCCCCO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C

InChI

InChI=1S/C50H56O14/c1-5-6-7-8-9-22-31-56-49-43(41(62-47(54)37-27-18-12-19-28-37)39(32(2)57-49)60-45(52)35-23-14-10-15-24-35)64-50-44(59-34(4)51)42(63-48(55)38-29-20-13-21-30-38)40(33(3)58-50)61-46(53)36-25-16-11-17-26-36/h10-21,23-30,32-33,39-44,49-50H,5-9,22,31H2,1-4H3/t32-,33-,39-,40-,41+,42+,43+,44+,49+,50-/m0/s1