Chem
J-GLOBAL ID:200907019455648125
Nikkaji number:J1.627.116K
Methyl 2-O,3-O,4-O-tribenzyl-6-O-(4-O,N,7-O,8-O,9-O-pentaacetyl-α-neuraminosyl)-α-D-glucopyranoside methyl ester
メチル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-α-ノイラミノシル)-α-D-グルコピラノシドメチル
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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:
C48 H59 NO18
Molecular formula furigana:
C48-H59-N-O18
Molecular weight:
937.989
InChI:
InChI=1S/C48H59NO18/c1-29(50)49-40-37(63-31(3)52)23-48(47(55)57-7,67-43(40)42(65-33(5)54)38(64-32(4)53)27-58-30(2)51)62-28-39-41(59-24-34-17-11-8-12-18-34)44(60-25-35-19-13-9-14-20-35)45(46(56-6)66-39)61-26-36-21-15-10-16-22-36/h8-22,37-46H,23-28H2,1-7H3,(H,49,50)/t37-,38+,39+,40+,41+,42+,43+,44-,45+,46-,48+/m0/s1
InChI key:
BOUWOVPSJSQLNM-XHYGFDHHSA-N
SMILES:
CO[C@H]1O[C@H](CO[C@@]2(C[C@H](OC(=O)C)[C@@H](NC(=O)C)[C@@H](O2)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)C(=O)OC)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Systematic name (5):
2-O-(1-O-メチル-2-O,3-O,4-O-トリベンジル-6-デオキシ-α-D-グルコピラノース-6-イル)-N,4-O,7-O,8-O,9-O-ペンタアセチル-α-ノイラミン酸メチル
N,4-O,7-O,8-O,9-O-ペンタアセチル-2-O-(1-O-メチル-2-O,3-O,4-O-トリベンジル-6-デオキシ-α-D-グルコピラノース-6-イル)-α-ノイラミン酸メチル
メチル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-α-ノイラミノシル)-α-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)-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,3R,4S,5R,6S)-3,4,5-トリス(ベンジルオキシ)-6-メトキシオキサン-2-イル]メトキシ}オキサン-2-カルボキシラート
methyl (2R,4S,5R,6R)-4-(acetyloxy)-5-acetamido-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-2-{[(2R,3R,4S,5R,6S)-3,4,5-tris(benzyloxy)-6-methoxyoxan-2-yl]methoxy}oxane-2-carboxylate
Other name (3):
2-O-(1-O-Methyl-2-O,3-O,4-O-tribenzyl-6-deoxy-α-D-glucopyranose-6-yl)-N,4-O,7-O,8-O,9-O-pentaacetyl-α-neuraminic acid methyl ester
N,4-O,7-O,8-O,9-O-Pentaacetyl-2-O-(1-O-methyl-2-O,3-O,4-O-tribenzyl-6-deoxy-α-D-glucopyranose-6-yl)-α-neuraminic acid methyl ester
Methyl 2-O,3-O,4-O-tribenzyl-6-O-(4-O,N,7-O,8-O,9-O-pentaacetyl-α-neuraminosyl)-α-D-glucopyranoside methyl ester
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