[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-3-acetyloxy-6-(acetyloxymethyl)-5-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-azido-octadec-4-en-3-yl] benzoate

Systemtic Name: [(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-3-acetyloxy-6-(acetyloxymethyl)-5-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-azido-octadec-4-en-3-yl] benzoate Openeye Name: [(E,1R)-1-[(1S)-2-[(2R,3R,4S,5R,6R)-3-acetoxy-6-(acetoxymethyl)-5-[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1-azido-ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,2S,3R)-1-[[(2R,3R,4S,5R,6R)-3-acetyloxy-6-(acetyloxymethyl)-5-[[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-4-[[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2-azidooctadec-4-en-3-yl] ester IUPAC Name: [(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-3-acetyloxy-6-(acetyloxymethyl)-5-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-azidooctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(1S)-2-[(2R,3R,4S,5R,6R)-3-acetoxy-6-(acetoxymethyl)-5-[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1-azido-ethyl]hexadec-2-enyl] ester Formula: C61H87N3O26 MolecularWeight: 1278.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC3C(C(C(C(O3)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-])OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-])OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C61H87N3O26/c1-12-13-14-15-16-17-18-19-20-21-22-23-27-30-46(86-58(74)44-28-25-24-26-29-44)45(63-64-62)31-77-59-55(83-41(9)71)54(90-60-56(84-42(10)72)52(81-39(7)69)49(34(2)78-60)79-37(5)67)51(48(87-59)33-76-36(4)66)89-61-57(85-43(11)73)53(82-40(8)70)50(80-38(6)68)47(88-61)32-75-35(3)65/h24-30,34,45-57,59-61H,12-23,31-33H2,1-11H3/b30-27+/t34-,45-,46+,47+,48+,49+,50+,51+,52+,53-,54-,55+,56-,57-,59+,60-,61-/m0/s1