Chem
J-GLOBAL ID：200907070634622770   Nikkaji number：J1.721.297D

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

メチル3-O-[1,1-(3-O,4-O,6-O-トリアセチル-β-D-マンノピラノース-1-O,2-O-ジイル)エチル]-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： C21H32O14
Molecular formula furigana： C21-H32-O14
Molecular weight： 508.473
InChI： InChI=1S/C21H32O14/c1-8-13(25)16(14(26)19(27-6)29-8)33-21(5)34-18-17(31-11(4)24)15(30-10(3)23)12(7-28-9(2)22)32-20(18)35-21/h8,12-20,25-26H,7H2,1-6H3/t8-,12+,13+,14-,15+,16+,17-,18-,19+,20-,21?/m0/s1
InChI key： MMTRRIYNKJUNIQ-JHNIBWDHSA-N
SMILES： CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](OC2(C)O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]3O2)[C@@H]1O
Systematic name  (3)：
  • メチル3-O-[1,1-(3-O,4-O,6-O-トリアセチル-β-D-マンノピラノース-1-O,2-O-ジイル)エチル]-α-L-フコピラノシド
  • [(3aS,5R,6R,7S,7aS)-6,7-ビス(アセチルオキシ)-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-メチル-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 アセタート
  • [(3aS,5R,6R,7S,7aS)-6,7-bis(acetyloxy)-2-{[(2R,3S,4R,5R,6S)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]oxy}-2-methyl-hexahydro-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
Other name (1)：
  • Methyl 3-O-[1,1-(3-O,4-O,6-O-triacetyl-β-D-mannopyranose-1-O,2-O-diyl)ethyl]-α-L-fucopyranoside
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