Chem
J-GLOBAL ID:200907001190554860
Nikkaji number:J2.743.495I
1-O-Methyl-2-O,3-O,6-O-tribenzyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-4-(phenylethynyl)-α-D-glucopyranose
1-O-メチル-2-O,3-O,6-O-トリベンジル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-4-(フェニルエチニル)-α-D-グルコピラノース
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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:
C50 H54 O15
Molecular formula furigana:
C50-H54-O15
Molecular weight:
894.967
InChI:
InChI=1S/C50H54O15/c1-33(51)57-31-41-43(60-34(2)52)44(61-35(3)53)45(62-36(4)54)49(63-41)65-50(27-26-37-18-10-6-11-19-37)42(32-56-28-38-20-12-7-13-21-38)64-48(55-5)46(58-29-39-22-14-8-15-23-39)47(50)59-30-40-24-16-9-17-25-40/h6-25,41-49H,28-32H2,1-5H3/t41-,42-,43+,44+,45-,46-,47-,48+,49+,50-/m1/s1
InChI key:
ZDSDONNFITWOKD-UHCYSRACSA-N
SMILES:
CO[C@H]1O[C@H](COCc2ccccc2)[C@](O[C@@H]2O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)(C#Cc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Systematic name (3):
1-O-メチル-2-O,3-O,6-O-トリベンジル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-4-(フェニルエチニル)-α-D-グルコピラノース
[(2R,3S,4S,5R,6S)-3,4,5-トリス(アセチルオキシ)-6-{[(2R,3R,4R,5R,6S)-4,5-ビス(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-6-メトキシ-3-(2-フェニルエチニル)オキサン-3-イル]オキシ}オキサン-2-イル]メチル アセタート
[(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4R,5R,6S)-4,5-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-methoxy-3-(2-phenylethynyl)oxan-3-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
1-O-Methyl-2-O,3-O,6-O-tribenzyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-4-(phenylethynyl)-α-D-glucopyranose
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