[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-6-pent-4-enoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-6-pent-4-enoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6R)-5-acetamido-4-acetoxy-6-pent-4-enoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-6-pent-4-enoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-6-pent-4-enoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6R)-5-acetamido-4-acetoxy-6-pent-4-enoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C31H45NO17 MolecularWeight: 703.6855

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCCCC=C)COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCC=C)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)OC(=O)C

InChI

InChI=1S/C31H45NO17/c1-9-10-11-12-40-30-24(32-15(2)33)27(44-19(6)37)25(22(47-30)13-41-16(3)34)49-31-29(46-21(8)39)28(45-20(7)38)26(43-18(5)36)23(48-31)14-42-17(4)35/h9,22-31H,1,10-14H2,2-8H3,(H,32,33)/t22-,23-,24-,25-,26+,27-,28+,29-,30-,31+/m1/s1