66530-18-5 , 2,3,4,6-Tetra-O-benzoyl-alpha-D-glucopyranose,
CAS:66530-18-5
C34H28O10 / 596.58
2,3,4,6-O-四苯甲酰基- alpha-D-葡萄糖,
CAS Number | 66530-18-5 |
Product Name | 2,3,4,6-Tetra-O-benzoyl-a-D-glucopyranose |
IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate |
Molecular Formula | C34H28O10 |
Molecular Weight | 596.58 g/mol |
InChI | InChI=1S/C34H28O10/c35-30(22-13-5-1-6-14-22)40-21-26-27(42-31(36)23-15-7-2-8-16-23)28(43-32(37)24-17-9-3-10-18-24)29(34(39)41-26)44-33(38)25-19-11-4-12-20-25/h1-20,26-29,34,39H,21H2/t26-,27-,28+,29-,34+/m1/s1 |
InChI Key | FCDYAJBVISGNLC-RZDXDWDHSA-N |
SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
Canonical SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
Isomeric SMILES | C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
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