Chem
J-GLOBAL ID:200907049518409416
Nikkaji number:J1.893.060I
1-O-(4-Methoxyphenyl)-2-(trichloroacetylamino)-4-O-(2-O-benzoyl-3-O-allyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-2-deoxy-β-D-glucopyranose 3,6-dibenzoate
1-O-(4-メトキシフェニル)-2-(トリクロロアセチルアミノ)-4-O-(2-O-ベンゾイル-3-O-アリル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-2-デオキシ-β-D-グルコピラノース3,6-ジベンゾアート
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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:
C52 H48 Cl3 NO15
Molecular formula furigana:
C52-H48-CL3-N-O15
Molecular weight:
1033.300
InChI:
InChI=1S/C52H48Cl3NO15/c1-3-28-62-43-41-38(30-64-48(70-41)34-22-14-7-15-23-34)67-50(44(43)69-47(59)33-20-12-6-13-21-33)71-40-37(29-63-45(57)31-16-8-4-9-17-31)66-49(65-36-26-24-35(61-2)25-27-36)39(56-51(60)52(53,54)55)42(40)68-46(58)32-18-10-5-11-19-32/h3-27,37-44,48-50H,1,28-30H2,2H3,(H,56,60)/t37-,38-,39-,40-,41+,42-,43+,44-,48?,49-,50-/m1/s1
InChI key:
BTBVEIXRHKKLBK-CUYLKFKWSA-N
SMILES:
COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O[C@H]3O[C@@H]4COC(O[C@@H]4[C@H](OCC=C)[C@H]3OC(=O)c3ccccc3)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1
Systematic name (3):
1-O-(4-メトキシフェニル)-2-(トリクロロアセチルアミノ)-4-O-(2-O-ベンゾイル-3-O-アリル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-2-デオキシ-β-D-グルコピラノース3,6-ジベンゾアート
[(2R,3S,4R,5R,6S)-3-{[(4aR,6R,7R,8S,8aS)-7-(ベンゾイルオキシ)-2-フェニル-8-(プロパ-2-エン-1-イルオキシ)-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-6-イル]オキシ}-4-(ベンゾイルオキシ)-6-(4-メトキシフェノキシ)-5-(2,2,2-トリクロロアセトアミド)オキサン-2-イル]メチル ベンゾアート
[(2R,3S,4R,5R,6S)-3-{[(4aR,6R,7R,8S,8aS)-7-(benzoyloxy)-2-phenyl-8-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-4-(benzoyloxy)-6-(4-methoxyphenoxy)-5-(2,2,2-trichloroacetamido)oxan-2-yl]methyl benzoate
Other name (1):
1-O-(4-Methoxyphenyl)-2-(trichloroacetylamino)-4-O-(2-O-benzoyl-3-O-allyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-2-deoxy-β-D-glucopyranose 3,6-dibenzoate
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