Chem
J-GLOBAL ID:200907016611843783   Nikkaji number:J1.656.817A

Allyl 2-O,4-O,6-O-tribenzyl-3-O-[3-O-[2-O-(2-O,3-O,4-O-tribenzyl-α-L-fucopyranosyl)-3-O,4-O,6-O-tribenzyl-β-D-galactopyranosyl]-4-O,6-O-benzylidene-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-α-D-galactopyranoside

アリル2-O,4-O,6-O-トリベンジル-3-O-[3-O-[2-O-(2-O,3-O,4-O-トリベンジル-α-L-フコピラノシル)-3-O,4-O,6-O-トリベンジル-β-D-ガラクトピラノシル]-4-O,6-O-ベンジリデン-2-(アセチルアミノ)-2-デオキシ-β-D-ガラクトピラノシル]-α-D-ガラクトピラノシド
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: C99H107NO20
Molecular formula furigana: C99-H107-N-O20
Molecular weight: 1630.932
InChI: InChI=1S/C99H107NO20/c1-4-55-104-97-93(111-64-78-51-31-13-32-52-78)91(86(107-60-74-43-23-9-24-44-74)81(115-97)66-103-57-71-37-17-6-18-38-71)119-96-83(100-69(3)101)88(87-82(114-96)67-112-95(117-87)79-53-33-14-34-54-79)118-99-94(90(109-62-76-47-27-11-28-48-76)85(106-59-73-41-21-8-22-42-73)80(116-99)65-102-56-70-35-15-5-16-36-70)120-98-92(110-63-77-49-29-12-30-50-77)89(108-61-75-45-25-10-26-46-75)84(68(2)113-98)105-58-72-39-19-7-20-40-72/h4-54,68,80-99H,1,55-67H2,2-3H3,(H,100,101)/t68-,80+,81+,82+,83+,84+,85-,86-,87-,88+,89+,90-,91-,92-,93+,94+,95?,96-,97-,98-,99-/m0/s1
InChI key: FPSODWWZVVWBJC-XFPJPOSLSA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=O)C)[C@H](O[C@H]4[C@@H](OCc5ccccc5)[C@@H](COCc5ccccc5)O[C@H](OCC=C)[C@@H]4OCc4ccccc4)O[C@@H]4COC(O[C@H]34)c3ccccc3)O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Systematic name  (3):
  • アリル2-O,4-O,6-O-トリベンジル-3-O-[3-O-[2-O-(2-O,3-O,4-O-トリベンジル-α-L-フコピラノシル)-3-O,4-O,6-O-トリベンジル-β-D-ガラクトピラノシル]-4-O,6-O-ベンジリデン-2-(アセチルアミノ)-2-デオキシ-β-D-ガラクトピラノシル]-α-D-ガラクトピラノシド
  • N-[(4aR,6S,7R,8R,8aR)-6-{[(2R,3S,4S,5R,6S)-3,5-ビス(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-6-(プロパ-2-エン-1-イルオキシ)オキサン-4-イル]オキシ}-8-{[(2R,3R,4S,5S,6R)-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-3-{[(2S,3S,4R,5R,6S)-3,4,5-トリス(ベンジルオキシ)-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-2-フェニル-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-7-イル]アセトアミド
  • N-[(4aR,6S,7R,8R,8aR)-6-{[(2R,3S,4S,5R,6S)-3,5-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-(prop-2-en-1-yloxy)oxan-4-yl]oxy}-8-{[(2R,3R,4S,5S,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-3-{[(2S,3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide
Other name (1):
  • Allyl 2-O,4-O,6-O-tribenzyl-3-O-[3-O-[2-O-(2-O,3-O,4-O-tribenzyl-α-L-fucopyranosyl)-3-O,4-O,6-O-tribenzyl-β-D-galactopyranosyl]-4-O,6-O-benzylidene-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-α-D-galactopyranoside
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