[(2R,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-cyclohexyloxy-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-4-yl]oxy-4-methyl-4-oxidanyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-4-oxidanyl-5-phenylmethoxy-oxan-3-yl] benzoate

Systemtic Name: [(2R,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-cyclohexyloxy-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-4-yl]oxy-4-methyl-4-oxidanyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-4-oxidanyl-5-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2R,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-3-benzoyloxy-5-benzyloxy-2-(cyclohexoxy)-6-methyl-tetrahydropyran-4-yl]oxy-5-benzyloxy-6-(benzyloxymethyl)-4-hydroxy-4-methyl-tetrahydropyran-3-yl]oxy-5-benzyloxy-4-hydroxy-6-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S,6S)-3-benzoyloxy-2-cyclohexyloxy-6-methyl-5-phenylmethoxy-4-oxanyl]oxy]-4-hydroxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]oxy]-4-hydroxy-6-methyl-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-3-benzoyloxy-2-cyclohexyloxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-4-hydroxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4-hydroxy-6-methyl-5-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S,5S,6R)-5-benzoxy-2-[(2R,3S,4S,5R,6R)-5-benzoxy-2-[(2R,3R,4R,5S,6S)-5-benzoxy-3-benzoyloxy-2-(cyclohexoxy)-6-methyl-tetrahydropyran-4-yl]oxy-6-(benzoxymethyl)-4-hydroxy-4-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-3-yl] ester Formula: C67H76O16 MolecularWeight: 1137.31074

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2(C)O)OCC3=CC=CC=C3)COCC4=CC=CC=C4)OC5C(C(OC(C5OC(=O)C6=CC=CC=C6)OC7CCCCC7)C)OCC8=CC=CC=C8)OC(=O)C9=CC=CC=C9)O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@]2(C)O)OCC3=CC=CC=C3)COCC4=CC=CC=C4)O[C@@H]5[C@H]([C@@H](O[C@H]([C@@H]5OC(=O)C6=CC=CC=C6)OC7CCCCC7)C)OCC8=CC=CC=C8)OC(=O)C9=CC=CC=C9)O)OCC1=CC=CC=C1

InChI

InChI=1S/C67H76O16/c1-44-55(73-40-47-27-13-5-14-28-47)54(68)57(80-62(69)50-33-19-8-20-34-50)64(76-44)83-61-66(79-53(43-72-39-46-25-11-4-12-26-46)60(67(61,3)71)75-42-49-31-17-7-18-32-49)82-58-56(74-41-48-29-15-6-16-30-48)45(2)77-65(78-52-37-23-10-24-38-52)59(58)81-63(70)51-35-21-9-22-36-51/h4-9,11-22,25-36,44-45,52-61,64-66,68,71H,10,23-24,37-43H2,1-3H3/t44-,45+,53-,54+,55-,56+,57+,58-,59-,60-,61-,64-,65+,66-,67+/m1/s1