Chem
J-GLOBAL ID:200907099236872510
Nikkaji number:J2.187.706I
10-Aminodecyl 2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-α-D-galactopyranosyl)-β-D-galactopyranoside
10-アミノデシル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-α-D-ガラクトピラノシル)-β-D-ガラクトピラノシド
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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:
C36 H57 NO18
Molecular formula furigana:
C36-H57-N-O18
Molecular weight:
791.841
InChI:
InChI=1S/C36H57NO18/c1-20(38)46-18-27-29(48-22(3)40)31(49-23(4)41)34(52-26(7)44)36(54-27)55-30-28(19-47-21(2)39)53-35(33(51-25(6)43)32(30)50-24(5)42)45-17-15-13-11-9-8-10-12-14-16-37/h27-36H,8-19,37H2,1-7H3/t27-,28-,29+,30+,31+,32+,33-,34-,35-,36-/m1/s1
InChI key:
DZKJACMBUCAPDL-NJXRGNBFSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](OCCCCCCCCCCN)[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):
10-アミノデシル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-α-D-ガラクトピラノシル)-β-D-ガラクトピラノシド
[(2R,3S,4S,5R,6R)-4,5-ビス(アセチルオキシ)-6-[(10-アミノデシル)オキシ]-3-{[(2R,3R,4S,5S,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,3S,4S,5R,6R)-4,5-bis(acetyloxy)-6-[(10-aminodecyl)oxy]-3-{[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
10-Aminodecyl 2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-α-D-galactopyranosyl)-β-D-galactopyranoside
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