Chem
J-GLOBAL ID：200907014704569425   Nikkaji number：J2.116.763K

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

2-(トリメチルシリル)エチル2-O,3-O,6-O-トリベンジル-4-O-[2-O,6-O-ジベンジル-3-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： C72H91NO23Si
Molecular formula furigana： C72-H91-N-O23-SI
Molecular weight： 1366.589
InChI： InChI=1S/C72H91NO23Si/c1-46(74)73-60-56(89-48(3)76)37-72(71(80)81-6,95-64(60)62(91-50(5)78)59(90-49(4)77)45-85-47(2)75)96-65-61(79)57(43-82-38-51-25-15-10-16-26-51)92-70(67(65)87-41-54-31-21-13-22-32-54)94-63-58(44-83-39-52-27-17-11-18-28-52)93-69(84-35-36-97(7,8)9)68(88-42-55-33-23-14-24-34-55)66(63)86-40-53-29-19-12-20-30-53/h10-34,56-70,79H,35-45H2,1-9H3,(H,73,74)/t56-,57+,58+,59+,60+,61-,62+,63+,64+,65-,66-,67+,68+,69+,70-,72+/m0/s1
InChI key： DANDWHQGVXUQGK-IPEFSZADSA-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)O[C@H]1[C@@H](O)[C@@H](COCc2ccccc2)O[C@@H](O[C@@H]2[C@@H](COCc3ccccc3)O[C@@H](OCC[Si](C)(C)C)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]1OCc1ccccc1
Systematic name  (3)：
  • 2-(トリメチルシリル)エチル2-O,3-O,6-O-トリベンジル-4-O-[2-O,6-O-ジベンジル-3-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 (2R,4S,5R,6R)-4-(アセチルオキシ)-2-{[(2S,3R,4S,5S,6R)-3-(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-2-{[(2R,3R,4S,5R,6R)-4,5-ビス(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-6-[2-(トリメチルシリル)エトキシ]オキサン-3-イル]オキシ}-5-ヒドロキシオキサン-4-イル]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]オキサン-2-カルボキシラート
  • methyl (2R,4S,5R,6R)-4-(acetyloxy)-2-{[(2S,3R,4S,5S,6R)-3-(benzyloxy)-6-[(benzyloxy)methyl]-2-{[(2R,3R,4S,5R,6R)-4,5-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-[2-(trimethylsilyl)ethoxy]oxan-3-yl]oxy}-5-hydroxyoxan-4-yl]oxy}-5-acetamido-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
Other name (1)：
  • 2-(Trimethylsilyl)ethyl 2-O,3-O,6-O-tribenzyl-4-O-[2-O,6-O-dibenzyl-3-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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