Chem
J-GLOBAL ID：200907002742997041   Nikkaji number：J2.052.486C

Allyl 3-O-(6-O-methyl-2-O,3-O,4-O-tribenzyl-α-D-galactopyranuronosyl)-4-O,6-O-benzylidene-2-(acetylamino)-2-deoxy-α-D-glucopyranoside

アリル3-O-(6-O-メチル-2-O,3-O,4-O-トリベンジル-α-D-ガラクトピラヌロノシル)-4-O,6-O-ベンジリデン-2-(アセチルアミノ)-2-デオキシ-α-D-グルコピラノシド
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： C46H51NO12
Molecular formula furigana： C46-H51-N-O12
Molecular weight： 809.909
InChI： InChI=1S/C46H51NO12/c1-4-25-51-45-36(47-30(2)48)38(37-35(56-45)29-55-44(57-37)34-23-15-8-16-24-34)58-46-42(54-28-33-21-13-7-14-22-33)40(53-27-32-19-11-6-12-20-32)39(41(59-46)43(49)50-3)52-26-31-17-9-5-10-18-31/h4-24,35-42,44-46H,1,25-29H2,2-3H3,(H,47,48)/t35-,36-,37-,38-,39-,40+,41+,42-,44?,45+,46+/m1/s1
InChI key： QPEHVRMAEKNNPQ-YRHYXHDWSA-N
SMILES： COC(=O)[C@H]1O[C@H](O[C@@H]2[C@@H](NC(=O)C)[C@@H](OCC=C)O[C@@H]3COC(O[C@@H]23)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Systematic name  (3)：
  • アリル3-O-(6-O-メチル-2-O,3-O,4-O-トリベンジル-α-D-ガラクトピラヌロノシル)-4-O,6-O-ベンジリデン-2-(アセチルアミノ)-2-デオキシ-α-D-グルコピラノシド
  • メチル (2S,3R,4S,5R,6S)-6-{[(4aR,6S,7R,8R,8aS)-7-アセトアミド-2-フェニル-6-(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-8-イル]オキシ}-3,4,5-トリス(ベンジルオキシ)オキサン-2-カルボキシラート
  • methyl (2S,3R,4S,5R,6S)-6-{[(4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}-3,4,5-tris(benzyloxy)oxane-2-carboxylate
Other name (1)：
  • Allyl 3-O-(6-O-methyl-2-O,3-O,4-O-tribenzyl-α-D-galactopyranuronosyl)-4-O,6-O-benzylidene-2-(acetylamino)-2-deoxy-α-D-glucopyranoside
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