Name: 4-Methylumbelliferyl-β-D-cellobiose heptaacetate
Rating: 5 (10 reviews)

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HIT ID:HIT219586744
Cas No:122147-95-9
常用名:4-Methylumbelliferyl-β-D-cellobiose heptaacetate
常用名:4-Methylumbelliferyl-β-D-cellobiose heptaacetate
别名:4-甲基伞形酮基β-D-壳二糖过乙酸盐
IUPAC:[(2R,3R,4S,5R,6S)-4,5-bis(acetyloxy)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-3-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
IUPAC:[(2R,3R,4S,5R,6S)-4,5-bis(acetyloxy)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-3-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
InChI key:NUHIJECUCNQZPZ-UEGIBPQHSA-N

分子式:C36H42O20
分子量:794.712
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
SMILES:CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

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