Chem
J-GLOBAL ID:200907004333495207
Nikkaji number:J1.025.213J
2,4-Dinitrophenyl 2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-mannopyranosyl)-β-D-mannopyranoside
2,4-ジニトロフェニル2-O,3-O,6-O-トリアセチル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-マンノピラノシル)-β-D-マンノピラノシド
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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:
C32 H38 [N+]2 O20 [O-]2
Molecular formula furigana:
C32-H38-N2-O22
Molecular weight:
802.648
InChI:
InChI=1S/C32H38N2O22/c1-13(35)46-11-23-25(48-15(3)37)27(49-16(4)38)30(52-19(7)41)32(55-23)56-26-24(12-47-14(2)36)54-31(29(51-18(6)40)28(26)50-17(5)39)53-22-9-8-20(33(42)43)10-21(22)34(44)45/h8-10,23-32H,11-12H2,1-7H3/t23-,24-,25-,26-,27+,28+,29+,30+,31-,32+/m1/s1
InChI key:
HAHROOMGMJRYDA-CILRXRLSSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name (3):
2,4-ジニトロフェニル2-O,3-O,6-O-トリアセチル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-マンノピラノシル)-β-D-マンノピラノシド
[(2R,3R,4S,5S,6S)-4,5-ビス(アセチルオキシ)-6-(2,4-ジニトロフェノキシ)-3-{[(2S,3S,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]メチル アセタート
[(2R,3R,4S,5S,6S)-4,5-bis(acetyloxy)-6-(2,4-dinitrophenoxy)-3-{[(2S,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
2,4-Dinitrophenyl 2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-mannopyranosyl)-β-D-mannopyranoside
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