Chem
J-GLOBAL ID：201207011407823483   Nikkaji number：J3.005.996D

[2-[2-(2-Aminoethoxy)ethoxy]ethyl]2-O,2′-O,3-O,3′-O,4′-O,6-O,6′-O-heptaacetyl-β-lactoside

[2-[2-(2-アミノエトキシ)エトキシ]エチル]2-O,2′-O,3-O,3′-O,4′-O,6-O,6′-O-ヘプタアセチル-β-ラクトシド
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： C32H49NO20
Molecular formula furigana： C32-H49-N-O20
Molecular weight： 767.731
InChI： InChI=1S/C32H49NO20/c1-16(34)44-14-23-25(46-18(3)36)27(47-19(4)37)30(50-22(7)40)32(52-23)53-26-24(15-45-17(2)35)51-31(43-13-12-42-11-10-41-9-8-33)29(49-21(6)39)28(26)48-20(5)38/h23-32H,8-15,33H2,1-7H3/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1
InChI key： CUJYNLQCTZSKBZ-TZDACTGUSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](OCCOCCOCCN)[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-[2-(2-アミノエトキシ)エトキシ]エチル]2-O,2′-O,3-O,3′-O,4′-O,6-O,6′-O-ヘプタアセチル-β-ラクトシド
  • [(2R,3R,4S,5R,6R)-4,5-ビス(アセチルオキシ)-6-{2-[2-(2-アミノエトキシ)エトキシ]エトキシ}-3-{[(2S,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,3R,4S,5R,6R)-4,5-bis(acetyloxy)-6-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1)：
  • [2-[2-(2-Aminoethoxy)ethoxy]ethyl]2-O,2′-O,3-O,3′-O,4′-O,6-O,6′-O-heptaacetyl-β-lactoside
Thsaurus map：
Thesaurus Map

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