1043892-54-1 , 4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside

1043892-54-1 , 4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside,
Cas:1043892-54-1
C40H41NO19 / 839.75
MFCD09750662

4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside

4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside is a bioactive metabolite that can be found in the gene expression profile of a human genome. It has been shown to have an effect on gene expression levels and cellular function. This metabolite is found in the environment and has been shown to be mediated by environmental factors. The high level of gene expression has been shown to be due to its ability to bind to DNA.

CAS Number	1043892-54-1
Product Name	4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside
IUPAC Name	[(2R,3R,4S,5S,6S)-5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate
Molecular Formula	C40H41NO19
Molecular Weight	839.75 g/mol
InChI	InChI=1S/C40H41NO19/c1-21(43)51-20-30-32(52-22(2)44)33(53-23(3)45)35(54-24(4)46)40(57-30)60-34-31(58-37(47)25-11-7-5-8-12-25)29(19-42)56-39(55-28-17-15-27(16-18-28)41(49)50)36(34)59-38(48)26-13-9-6-10-14-26/h5-18,29-36,39-40,42H,19-20H2,1-4H3/t29-,30-,31-,32-,33+,34+,35+,36+,39-,40-/m1/s1
InChI Key	OEJXXHZJFGMEDX-QJYYACBASA-N
SMILES	CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])CO)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
Canonical SMILES	CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])CO)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
Isomeric SMILES	CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@H]2OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])CO)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C