Chem
J-GLOBAL ID：200907065790475679   Nikkaji number：J2.095.999A

1-O-Methyl-3-O,6-O-dibenzyl-2-phthalimidyl-4-O-(2-O,4-O-dibenzoyl-3-O,6-O-diallyl-β-D-mannopyranosyl)-2-deoxy-β-D-glucopyranose

1-O-メチル-3-O,6-O-ジベンジル-2-フタルイミジル-4-O-(2-O,4-O-ジベンゾイル-3-O,6-O-ジアリル-β-D-マンノピラノシル)-2-デオキシ-β-D-グルコピラノース
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C55H55NO14
Molecular formula furigana： C55-H55-N-O14
Molecular weight： 954.038
InChI： InChI=1S/C55H55NO14/c1-4-30-62-34-42-46(68-52(59)38-24-14-8-15-25-38)48(64-31-5-2)49(69-53(60)39-26-16-9-17-27-39)55(67-42)70-45-43(35-63-32-36-20-10-6-11-21-36)66-54(61-3)44(47(45)65-33-37-22-12-7-13-23-37)56-50(57)40-28-18-19-29-41(40)51(56)58/h4-29,42-49,54-55H,1-2,30-35H2,3H3/t42-,43-,44-,45-,46-,47-,48+,49+,54-,55+/m1/s1
InChI key： XQJMAUZAABKZFR-WXXXCPIJSA-N
SMILES： CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCC=C)[C@@H](OC(=O)c3ccccc3)[C@H](OCC=C)[C@@H]2OC(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O
Systematic name  (3)：
  • 1-O-メチル-3-O,6-O-ジベンジル-2-フタルイミジル-4-O-(2-O,4-O-ジベンゾイル-3-O,6-O-ジアリル-β-D-マンノピラノシル)-2-デオキシ-β-D-グルコピラノース
  • (2R,3R,4S,5S,6S)-5-(ベンゾイルオキシ)-6-{[(2R,3S,4R,5R,6R)-4-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-5-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-6-メトキシオキサン-3-イル]オキシ}-4-(プロパ-2-エン-1-イルオキシ)-2-[(プロパ-2-エン-1-イルオキシ)メチル]オキサン-3-イル ベンゾアート
  • (2R,3R,4S,5S,6S)-5-(benzoyloxy)-6-{[(2R,3S,4R,5R,6R)-4-(benzyloxy)-2-[(benzyloxy)methyl]-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-6-methoxyoxan-3-yl]oxy}-4-(prop-2-en-1-yloxy)-2-[(prop-2-en-1-yloxy)methyl]oxan-3-yl benzoate
Other name (1)：
  • 1-O-Methyl-3-O,6-O-dibenzyl-2-phthalimidyl-4-O-(2-O,4-O-dibenzoyl-3-O,6-O-diallyl-β-D-mannopyranosyl)-2-deoxy-β-D-glucopyranose
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