Chem
J-GLOBAL ID：200907034459764234   Nikkaji number：J1.296.922H

9-[2-O,4-O-Dibenzyl-3-O-(2-O,3-O,4-O,6-O-tetrabenzyl-α-D-mannopyranosyl)-6-O-[2-O-benzyl-3-O-(2-O,3-O,4-O,6-O-tetrabenzyl-α-D-mannopyranosyl)-4-O,6-O-benzylidene-α-D-mannopyranosyl]-β-D-mannopyranosyloxy]nonanoic acid methyl ester

9-[2-O,4-O-ジベンジル-3-O-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)-6-O-[2-O-ベンジル-3-O-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)-4-O,6-O-ベンジリデン-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
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： C118H130O23
Molecular formula furigana： C118-H130-O23
Molecular weight： 1916.315
InChI： InChI=1S/C118H130O23/c1-120-101(119)68-42-4-2-3-5-43-69-123-115-112(131-79-94-62-36-15-37-63-94)108(140-117-110(129-77-92-58-32-13-33-59-92)106(127-75-90-54-28-11-29-55-90)102(124-72-87-48-22-8-23-49-87)97(137-117)81-121-70-85-44-18-6-19-45-85)104(126-74-89-52-26-10-27-53-89)99(135-115)83-134-116-113(132-80-95-64-38-16-39-65-95)109(105-100(136-116)84-133-114(139-105)96-66-40-17-41-67-96)141-118-111(130-78-93-60-34-14-35-61-93)107(128-76-91-56-30-12-31-57-91)103(125-73-88-50-24-9-25-51-88)98(138-118)82-122-71-86-46-20-7-21-47-86/h6-41,44-67,97-100,102-118H,2-5,42-43,68-84H2,1H3/t97-,98-,99-,100-,102-,103-,104-,105-,106+,107+,108+,109+,110+,111+,112+,113+,114?,115-,116+,117-,118-/m1/s1
InChI key： OOXYGRDNKRNAQR-YMQQTLEESA-N
SMILES： COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@@H]3COC(O[C@H]3[C@H](O[C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)[C@@H]2OCc2ccccc2)c2ccccc2)[C@@H](OCc2ccccc2)[C@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H]1OCc1ccccc1
Systematic name  (3)：
  • 9-[2-O,4-O-ジベンジル-3-O-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)-6-O-[2-O-ベンジル-3-O-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)-4-O,6-O-ベンジリデン-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)-6-({[(4aR,6S,7S,8S,8aR)-7-(ベンジルオキシ)-2-フェニル-8-{[(2R,3S,4S,5R,6R)-3,4,5-トリス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-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-6-イル]オキシ}メチル)-3,5-ビス(ベンジルオキシ)-4-{[(2R,3S,4S,5R,6R)-3,4,5-トリス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}ノナノアート
  • methyl 9-{[(2R,3S,4S,5R,6R)-6-({[(4aR,6S,7S,8S,8aR)-7-(benzyloxy)-2-phenyl-8-{[(2R,3S,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}methyl)-3,5-bis(benzyloxy)-4-{[(2R,3S,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}nonanoate
Other name (1)：
  • 9-[2-O,4-O-Dibenzyl-3-O-(2-O,3-O,4-O,6-O-tetrabenzyl-α-D-mannopyranosyl)-6-O-[2-O-benzyl-3-O-(2-O,3-O,4-O,6-O-tetrabenzyl-α-D-mannopyranosyl)-4-O,6-O-benzylidene-α-D-mannopyranosyl]-β-D-mannopyranosyloxy]nonanoic acid methyl ester
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