Chem
J-GLOBAL ID:200907053056227926
Nikkaji number:J1.296.912K
9-[2-O,4-O-Dibenzyl-3-O-[3-O,4-O,6-O-tribenzyl-2-O-(3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-α-D-mannopyranosyl]-β-D-mannopyranosyloxy]nonanoic acid methyl ester
9-[2-O,4-O-ジベンジル-3-O-[3-O,4-O,6-O-トリベンジル-2-O-(3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-α-D-マンノピラノシル]-β-D-マンノピラノシルオキシ]ノナン酸メチル
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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:
C84 H98 O18
Molecular formula furigana:
C84-H98-O18
Molecular weight:
1395.690
InChI:
InChI=1S/C84H98O18/c1-88-72(86)48-30-4-2-3-5-31-49-91-83-80(97-58-68-46-28-13-29-47-68)79(74(69(50-85)98-83)92-53-63-36-18-8-19-37-63)101-84-81(78(96-57-67-44-26-12-27-45-67)76(94-55-65-40-22-10-23-41-65)71(100-84)60-90-52-62-34-16-7-17-35-62)102-82-73(87)77(95-56-66-42-24-11-25-43-66)75(93-54-64-38-20-9-21-39-64)70(99-82)59-89-51-61-32-14-6-15-33-61/h6-29,32-47,69-71,73-85,87H,2-5,30-31,48-60H2,1H3/t69-,70-,71-,73+,74-,75-,76-,77-,78+,79+,80+,81+,82-,83-,84-/m1/s1
InChI key:
BAEAQIKTIXVMCD-IVQDCCFPSA-N
SMILES:
COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O)[C@@H]1OCc1ccccc1
Systematic name (3):
9-[2-O,4-O-ジベンジル-3-O-[3-O,4-O,6-O-トリベンジル-2-O-(3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-α-D-マンノピラノシル]-β-D-マンノピラノシルオキシ]ノナン酸メチル
メチル 9-{[(2R,3S,4S,5R,6R)-3,5-ビス(ベンジルオキシ)-4-{[(2R,3S,4S,5R,6R)-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-3-{[(2R,3S,4R,5R,6R)-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-3-ヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ノナノアート
methyl 9-{[(2R,3S,4S,5R,6R)-3,5-bis(benzyloxy)-4-{[(2R,3S,4S,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-3-{[(2R,3S,4R,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-3-hydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}nonanoate
Other name (1):
9-[2-O,4-O-Dibenzyl-3-O-[3-O,4-O,6-O-tribenzyl-2-O-(3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-α-D-mannopyranosyl]-β-D-mannopyranosyloxy]nonanoic acid methyl ester
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