bis[[(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[[(2R,3S,4S,5R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]oxan-2-yl]methyl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

Systemtic Name: bis[[(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[[(2R,3S,4S,5R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]oxan-2-yl]methyl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate Openeye Name: bis[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]tetrahydropyran-2-yl]methyl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate CAS Name: (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid bis[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxanyl]methoxy]-2-oxanyl]methyl] ester IUPAC Name: bis[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate Traditional Name: (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid bis[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]tetrahydropyran-2-yl]methyl] ester Formula: C44H64O24 MolecularWeight: 976.96456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC=C(C)C=CC=C(C)C(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)C=CC=C(C)C(=O)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)O)O)O)O)O)O)O

Isomeric SMILES

C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC[C@H]2OC([C@@H]([C@H]([C@@H]2O)O)O)O)/C)/C)/C=C/C=C(/C(=O)OC[C@H]3O[C@H]([C@@H]([C@H]([C@@H]3O)O)O)OC[C@H]4OC([C@@H]([C@H]([C@@H]4O)O)O)O)\C

InChI

InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(57)61-15-25-29(47)33(51)37(55)43(67-25)63-17-23-27(45)31(49)35(53)41(59)65-23)9-5-6-10-20(2)12-8-14-22(4)40(58)62-16-26-30(48)34(52)38(56)44(68-26)64-18-24-28(46)32(50)36(54)42(60)66-24/h5-14,23-38,41-56,59-60H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41?,42?,43-,44-/m1/s1