[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[(4S)-14-methoxy-14-oxidanylidene-tetradecan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-4-yl]oxy-6-methyl-5-phenylmethoxy-4-prop-2-enoxy-oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[(4S)-14-methoxy-14-oxidanylidene-tetradecan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-4-yl]oxy-6-methyl-5-phenylmethoxy-4-prop-2-enoxy-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5R,6R)-4-allyloxy-2-[(2S,3R,4S,5R,6R)-3-benzoyloxy-5-benzyloxy-2-[(2R,3R,4S,5R,6R)-4,5-dibenzyloxy-2-[(1S)-11-methoxy-11-oxo-1-propyl-undecoxy]-6-methyl-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-4-yl]oxy-5-benzyloxy-6-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5R,6R)-2-[[(2S,3R,4S,5R,6R)-3-benzoyloxy-2-[[(2R,3R,4S,5R,6R)-2-[(4S)-14-methoxy-14-oxotetradecan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)-3-oxanyl]oxy]-6-methyl-5-phenylmethoxy-4-oxanyl]oxy]-6-methyl-5-phenylmethoxy-4-prop-2-enoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-3-benzoyloxy-2-[(2R,3R,4S,5R,6R)-2-[(4S)-14-methoxy-14-oxotetradecan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-5-phenylmethoxy-4-prop-2-enoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5R,6R)-4-allyloxy-5-benzoxy-2-[(2S,3R,4S,5R,6R)-5-benzoxy-3-benzoyloxy-2-[(2R,3R,4S,5R,6R)-4,5-dibenzoxy-2-[(1S)-11-keto-11-methoxy-1-propyl-undecoxy]-6-methyl-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-4-yl]oxy-6-methyl-tetrahydropyran-3-yl] ester Formula: C78H96O17 MolecularWeight: 1305.58664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCCCCC(=O)OC)OC1C(C(C(C(O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC4C(C(C(C(O4)C)OCC5=CC=CC=C5)OC6C(C(C(C(O6)C)OCC7=CC=CC=C7)OCC=C)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

Isomeric SMILES

CCC[C@@H](CCCCCCCCCC(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)OCC5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)OCC7=CC=CC=C7)OCC=C)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

InChI

InChI=1S/C78H96O17/c1-7-34-63(47-32-12-10-9-11-13-33-48-64(79)82-6)91-76-72(69(87-53-60-41-26-17-27-42-60)66(55(4)88-76)85-51-58-37-22-15-23-38-58)95-78-73(93-75(81)62-45-30-19-31-46-62)70(67(56(5)90-78)86-52-59-39-24-16-25-40-59)94-77-71(92-74(80)61-43-28-18-29-44-61)68(83-49-8-2)65(54(3)89-77)84-50-57-35-20-14-21-36-57/h8,14-31,35-46,54-56,63,65-73,76-78H,2,7,9-13,32-34,47-53H2,1,3-6H3/t54-,55-,56-,63+,65-,66-,67-,68+,69+,70+,71-,72-,73-,76+,77+,78+/m1/s1