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

Systemtic Name: [(2S,3S,4R,5R,6R)-2-methyl-5-[(2S,3R,4R,5S,6S)-6-methyl-3-[(2S,3R,4R,5S,6S)-6-methyl-3,5-bis(phenylcarbonyloxy)-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-4,5-bis(phenylcarbonyloxy)oxan-2-yl]oxy-6-octoxy-4-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5R,6R)-4-benzoyloxy-5-[(2S,3R,4R,5S,6S)-4,5-dibenzoyloxy-3-[(2S,3R,4R,5S,6S)-3,5-dibenzoyloxy-6-methyl-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-6-octoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R,6R)-4-benzoyloxy-5-[[(2S,3R,4R,5S,6S)-4,5-dibenzoyloxy-3-[[(2S,3R,4R,5S,6S)-3,5-dibenzoyloxy-6-methyl-4-[[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-2-methyl-6-octoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6R)-4-benzoyloxy-5-[(2S,3R,4R,5S,6S)-4,5-dibenzoyloxy-3-[(2S,3R,4R,5S,6S)-3,5-dibenzoyloxy-6-methyl-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-methyl-6-octoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R,6R)-4-benzoyloxy-5-[(2S,3R,4R,5S,6S)-4,5-dibenzoyloxy-3-[(2S,3R,4R,5S,6S)-3,5-dibenzoyloxy-6-methyl-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-6-octoxy-tetrahydropyran-3-yl] ester Formula: C80H88O26 MolecularWeight: 1465.53912

Click to see the large picture

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)OC7C(C(C(C(O7)C)OC(=O)C8=CC=CC=C8)OC9C(C(C(C(O9)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C1=CC=CC=C1

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)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)OC(=O)C8=CC=CC=C8)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C80H88O26/c1-9-10-11-12-13-32-45-90-77-67(64(101-74(87)56-39-26-17-27-40-56)60(47(3)91-77)98-71(84)53-33-20-14-21-34-53)105-80-70(65(102-75(88)57-41-28-18-29-42-57)61(48(4)94-80)99-72(85)54-35-22-15-23-36-54)106-79-69(103-76(89)58-43-30-19-31-44-58)66(62(49(5)93-79)100-73(86)55-37-24-16-25-38-55)104-78-68(97-52(8)83)63(96-51(7)82)59(46(2)92-78)95-50(6)81/h14-31,33-44,46-49,59-70,77-80H,9-13,32,45H2,1-8H3/t46-,47-,48-,49-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,77+,78-,79-,80-/m0/s1