103674-69-7 , 三苯甲酰基-溴代-a-D-葡萄糖醛酸甲酯, CAS:103674-69-7

103674-69-7 , 1-Bromo-2,3,4-tri-O-benzoyl-a-D-glucuronide methyl ester,
三苯甲酰基-溴代-a-D-葡萄糖醛酸甲酯,
CAS:103674-69-7
C28H23BrO9 / 583.39
MFCD15144945

1-Bromo-2,3,4-tri-O-benzoyl-a-D-glucuronide methyl ester

三苯甲酰基-溴代-a-D-葡萄糖醛酸甲酯，

CAS Number	103674-69-7
Product Name	Methyl (2S,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-bromooxane-2-carboxylate
IUPAC Name	methyl (2S,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-bromooxane-2-carboxylate
Molecular Formula	C28H23BrO9
Molecular Weight	583.39 g/mol
InChI	InChI=1S/C28H23BrO9/c1-34-28(33)23-21(37-26(31)18-13-7-3-8-14-18)20(36-25(30)17-11-5-2-6-12-17)22(24(29)35-23)38-27(32)19-15-9-4-10-16-19/h2-16,20-24H,1H3/t20-,21-,22+,23-,24-/m0/s1
InChI Key	KXTNIKNREDJJSO-LKTXNROYSA-N
SMILES	COC(=O)C1C(C(C(C(O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Synonyms	1-Bromo-1-deoxy-2,3,4-tribenzoate α-D-Glucopyranuronic Acid Methyl Ester;Methyl (2,3,4-Tri-O-benzoyl-α-D-glucopyranosyl bromide)uronate;
Canonical SMILES	COC(=O)C1C(C(C(C(O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Isomeric SMILES	COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4