Chem
J-GLOBAL ID:200907080525819810   Nikkaji number:J858.011A

Octyl 2-O-[4-O-(2-O-acetyl-3-O,6-O-dibenzyl-4-deoxy-β-D-xylo-hexopyranosyl)-3-O,6-O-dibenzyl-2-deoxy-2-[(1,3-dihydro-1,3-dioxo-2H-isoindol)-2-yl]-β-D-glucopyranosyl]-3-O,4-O,6-O-tribenzyl-α-D-mannopyranoside

オクチル2-O-[4-O-(2-O-アセチル-3-O,6-O-ジベンジル-4-デオキシ-β-D-xylo-ヘキソピラノシル)-3-O,6-O-ジベンジル-2-デオキシ-2-[(1,3-ジヒドロ-1,3-ジオキソ-2H-イソインドール)-2-イル]-β-D-グルコピラノシル]-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシド
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: C85H95NO17
Molecular formula furigana: C85-H95-N-O17
Molecular weight: 1402.685
InChI: InChI=1S/C85H95NO17/c1-3-4-5-6-7-31-48-93-84-80(79(97-56-67-44-27-14-28-45-67)75(95-54-65-40-23-12-24-41-65)72(101-84)58-91-51-62-34-17-9-18-35-62)103-83-74(86-81(88)69-46-29-30-47-70(69)82(86)89)78(96-55-66-42-25-13-26-43-66)76(73(100-83)59-92-52-63-36-19-10-20-37-63)102-85-77(98-60(2)87)71(94-53-64-38-21-11-22-39-64)49-68(99-85)57-90-50-61-32-15-8-16-33-61/h8-30,32-47,68,71-80,83-85H,3-7,31,48-59H2,1-2H3/t68-,71-,72+,73+,74+,75+,76+,77+,78+,79-,80-,83-,84-,85-/m0/s1
InChI key: YAWSIHAXEWCSEW-ZKSAZGRYSA-N
SMILES: CCCCCCCCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)C[C@H](OCc3ccccc3)[C@H]2OC(=O)C)[C@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O
Systematic name  (3):
  • オクチル2-O-[4-O-(2-O-アセチル-3-O,6-O-ジベンジル-4-デオキシ-β-D-xylo-ヘキソピラノシル)-3-O,6-O-ジベンジル-2-デオキシ-2-[(1,3-ジヒドロ-1,3-ジオキソ-2H-イソインドール)-2-イル]-β-D-グルコピラノシル]-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシド
  • (2S,3R,4S,6S)-4-(ベンジルオキシ)-2-{[(2R,3S,4R,5R,6S)-4-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-6-{[(2S,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]-2-(オクチルオキシ)オキサン-3-イル]オキシ}-5-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)オキサン-3-イル]オキシ}-6-[(ベンジルオキシ)メチル]オキサン-3-イル アセタート
  • (2S,3R,4S,6S)-4-(benzyloxy)-2-{[(2R,3S,4R,5R,6S)-4-(benzyloxy)-2-[(benzyloxy)methyl]-6-{[(2S,3S,4S,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-(octyloxy)oxan-3-yl]oxy}-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxan-3-yl]oxy}-6-[(benzyloxy)methyl]oxan-3-yl acetate
Other name (1):
  • Octyl 2-O-[4-O-(2-O-acetyl-3-O,6-O-dibenzyl-4-deoxy-β-D-xylo-hexopyranosyl)-3-O,6-O-dibenzyl-2-deoxy-2-[(1,3-dihydro-1,3-dioxo-2H-isoindol)-2-yl]-β-D-glucopyranosyl]-3-O,4-O,6-O-tribenzyl-α-D-mannopyranoside
Thsaurus map:

Return to Previous Page