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(phenylmethyl) (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-4-acetyloxy-2-(acetyloxymethyl)-5-phenylmethoxy-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl]oxy-4,5-dimethoxy-3-(4-oxidanylidenepentanoyloxy)oxane-2-carboxylate

(phenylmethyl) (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-4-acetyloxy-2-(acetyloxymethyl)-5-phenylmethoxy-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl]oxy-4,5-dimethoxy-3-(4-oxidanylidenepentanoyloxy)oxane-2-carboxylate

Systemtic Name:(phenylmethyl) (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-4-acetyloxy-2-(acetyloxymethyl)-5-phenylmethoxy-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl]oxy-4,5-dimethoxy-3-(4-oxidanylidenepentanoyloxy)oxane-2-carboxylate
Openeye Name:benzyl (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-4-acetoxy-2-(acetoxymethyl)-5-benzyloxy-6-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-3-(4-oxopentanoyloxy)tetrahydropyran-2-carboxylate
CAS Name:(2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-4-acetyloxy-2-(acetyloxymethyl)-5-phenylmethoxy-6-(2,2,2-trichloro-1-iminoethoxy)-3-oxanyl]oxy]-3-(1,4-dioxopentoxy)-4,5-dimethoxy-2-oxanecarboxylic acid (phenylmethyl) ester
IUPAC Name:benzyl (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-4-acetyloxy-2-(acetyloxymethyl)-5-phenylmethoxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxy-4,5-dimethoxy-3-(4-oxopentanoyloxy)oxane-2-carboxylate
Traditional Name:(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-4-acetoxy-2-(acetoxymethyl)-5-benzoxy-6-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-3-yl]oxy-3-(4-ketopentanoyloxy)-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid benzyl ester
Formula: C39H46Cl3NO16
MolecularWeight: 891.13864
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(C(OC1C(=O)OCC2=CC=CC=C2)OC3C(OC(C(C3OC(=O)C)OCC4=CC=CC=C4)OC(=N)C(Cl)(Cl)Cl)COC(=O)C)OC)OC


Isomeric SMILES

CC(=O)CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OCC2=CC=CC=C2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC(=O)C)OCC4=CC=CC=C4)OC(=N)C(Cl)(Cl)Cl)COC(=O)C)OC)OC


InChI

InChI=1S/C39H46Cl3NO16/c1-21(44)16-17-27(47)56-31-29(49-4)33(50-5)36(58-32(31)35(48)53-19-25-14-10-7-11-15-25)57-28-26(20-51-22(2)45)55-37(59-38(43)39(40,41)42)34(30(28)54-23(3)46)52-18-24-12-8-6-9-13-24/h6-15,26,28-34,36-37,43H,16-20H2,1-5H3/t26-,28-,29+,30+,31+,32+,33-,34-,36-,37-/m1/s1


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