Chem
J-GLOBAL ID：200907068175901373   Nikkaji number：J1.721.298B

Methyl 3-O-[α,α-(3-O,4-O,6-O-tribenzoyl-β-D-mannopyranose-1-O,2-O-diyl)benzyl]-α-L-fucopyranoside

メチル3-O-[α,α-(3-O,4-O,6-O-トリベンゾイル-β-D-マンノピラノース-1-O,2-O-ジイル)ベンジル]-α-L-フコピラノシド
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： C41H40O14
Molecular formula furigana： C41-H40-O14
Molecular weight： 756.757
InChI： InChI=1S/C41H40O14/c1-24-30(42)33(31(43)39(47-2)49-24)53-41(28-21-13-6-14-22-28)54-35-34(52-38(46)27-19-11-5-12-20-27)32(51-37(45)26-17-9-4-10-18-26)29(50-40(35)55-41)23-48-36(44)25-15-7-3-8-16-25/h3-22,24,29-35,39-40,42-43H,23H2,1-2H3/t24-,29+,30+,31-,32+,33+,34-,35-,39+,40-,41?/m0/s1
InChI key： KDJHMWMLXDHJMG-HSRGOROZSA-N
SMILES： CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](OC2(O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H]3O2)c2ccccc2)[C@@H]1O
Systematic name  (3)：
  • メチル3-O-[α,α-(3-O,4-O,6-O-トリベンゾイル-β-D-マンノピラノース-1-O,2-O-ジイル)ベンジル]-α-L-フコピラノシド
  • [(3aS,5R,6R,7S,7aS)-6,7-ビス(ベンゾイルオキシ)-2-{[(2R,3S,4R,5R,6S)-3,5-ジヒドロキシ-2-メトキシ-6-メチルオキサン-4-イル]オキシ}-2-フェニル-ヘキサヒドロ-[1,3]ジオキソロ[4,5-b]ピラン-5-イル]メチル ベンゾアート
  • [(3aS,5R,6R,7S,7aS)-6,7-bis(benzoyloxy)-2-{[(2R,3S,4R,5R,6S)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]oxy}-2-phenyl-hexahydro-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl benzoate
Other name (1)：
  • Methyl 3-O-[α,α-(3-O,4-O,6-O-tribenzoyl-β-D-mannopyranose-1-O,2-O-diyl)benzyl]-α-L-fucopyranoside
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