Chem
J-GLOBAL ID:200907079427743603   Nikkaji number:J2.116.762B

Benzyl 2-O,3-O,6-O-tribenzyl-4-O-[2-O,3-O,4-O-tribenzyl-6-O-(4-O,N,7-O,8-O,9-O-pentaacetyl-β-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucopyranoside methyl ester

ベンジル2-O,3-O,6-O-トリベンジル-4-O-[2-O,3-O,4-O-トリベンジル-6-O-(4-O,N,7-O,8-O,9-O-ペンタアセチル-β-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノシドメチル
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: C81H91NO23
Molecular formula furigana: C81-H91-N-O23
Molecular weight: 1446.603
InChI: InChI=1S/C81H91NO23/c1-53(83)82-69-65(99-55(3)85)42-81(80(88)89-6,105-73(69)71(101-57(5)87)67(100-56(4)86)51-91-54(2)84)98-52-68-70(92-44-59-30-16-8-17-31-59)74(93-45-60-32-18-9-19-33-60)77(96-48-63-38-24-12-25-39-63)79(103-68)104-72-66(50-90-43-58-28-14-7-15-29-58)102-78(97-49-64-40-26-13-27-41-64)76(95-47-62-36-22-11-23-37-62)75(72)94-46-61-34-20-10-21-35-61/h7-41,65-79H,42-52H2,1-6H3,(H,82,83)/t65-,66+,67+,68+,69+,70-,71+,72+,73+,74-,75-,76+,77+,78+,79-,81-/m0/s1
InChI key: BSQFULZWSATMAB-PIKLBFDVSA-N
SMILES: COC(=O)[C@@]1(C[C@H](OC(=O)C)[C@@H](NC(=O)C)[C@@H](O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COCc3ccccc3)O[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Systematic name  (3):
  • ベンジル2-O,3-O,6-O-トリベンジル-4-O-[2-O,3-O,4-O-トリベンジル-6-O-(4-O,N,7-O,8-O,9-O-ペンタアセチル-β-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノシドメチル
  • メチル (2S,4S,5R,6R)-4-(アセチルオキシ)-5-アセトアミド-6-[(1S,2R)-1,2,3-トリス(アセチルオキシ)プロピル]-2-{[(2R,3S,4S,5R,6S)-3,4,5-トリス(ベンジルオキシ)-6-{[(2R,3R,4S,5R,6R)-4,5,6-トリス(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]オキサン-3-イル]オキシ}オキサン-2-イル]メトキシ}オキサン-2-カルボキシラート
  • methyl (2S,4S,5R,6R)-4-(acetyloxy)-5-acetamido-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-2-{[(2R,3S,4S,5R,6S)-3,4,5-tris(benzyloxy)-6-{[(2R,3R,4S,5R,6R)-4,5,6-tris(benzyloxy)-2-[(benzyloxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methoxy}oxane-2-carboxylate
Other name (1):
  • Benzyl 2-O,3-O,6-O-tribenzyl-4-O-[2-O,3-O,4-O-tribenzyl-6-O-(4-O,N,7-O,8-O,9-O-pentaacetyl-β-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucopyranoside methyl ester
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