Chem
J-GLOBAL ID：200907036210299054   Nikkaji number：J1.185.573C

6-O-[4-O-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-mannopyranosyl)-2-azido-6-O-benzoyl-3-O-benzyl-2-deoxy-α-D-glucopyranosyl]-1-O-[[(1R)-menthyl]oxycarbonyl]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol

6-O-[4-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)-2-アジド-6-O-ベンゾイル-3-O-ベンジル-2-デオキシ-α-D-グルコピラノシル]-1-O-[[(1R)-メンチル]オキシカルボニル]-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
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： C83H99N[N-][N+]O18
Molecular formula furigana： C83-H99-N3-O18
Molecular weight： 1426.708
InChI： InChI=1S/C83H99N3O18/c1-54(2)62-41-40-55(3)46-63(62)97-81(88)100-72-71(73-75(103-82(101-73)42-24-10-25-43-82)76-74(72)102-83(104-76)44-26-11-27-45-83)99-79-66(85-86-84)69(91-49-58-32-16-6-17-33-58)68(65(95-79)53-94-78(87)61-38-22-9-23-39-61)98-80-77(93-51-60-36-20-8-21-37-60)70(92-50-59-34-18-7-19-35-59)67(90-48-57-30-14-5-15-31-57)64(96-80)52-89-47-56-28-12-4-13-29-56/h4-9,12-23,28-39,54-55,62-77,79-80H,10-11,24-27,40-53H2,1-3H3/t55-,62?,63?,64-,65-,66-,67-,68-,69-,70+,71+,72+,73-,74+,75+,76+,77+,79-,80-/m1/s1
InChI key： VWFJVAGYDPBQLB-PXYHEKDBSA-N
SMILES： CC(C)C1CC[C@@H](C)CC1OC(=O)O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
Systematic name  (3)：
  • 6-O-[4-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)-2-アジド-6-O-ベンゾイル-3-O-ベンジル-2-デオキシ-α-D-グルコピラノシル]-1-O-[[(1R)-メンチル]オキシカルボニル]-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
  • [(2R,3S,4R,5R,6R)-5-アジド-4-(ベンジルオキシ)-6-[(1'S,2'R,6'R,7'S,8'R,9'R)-7'-[({[(5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}カルボニル)オキシ]ジスピロ[シクロヘキサン-1,4'-[3,5,10,12]テトラオキサトリシクロ[7.3.0.02,6]ドデカン-11',1''-シクロヘキサン]オキシ]-3-{[(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]メチル ベンゾアート
  • [(2R,3S,4R,5R,6R)-5-azido-4-(benzyloxy)-6-[(1'S,2'R,6'R,7'S,8'R,9'R)-7'-[({[(5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)oxy]dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.02,6]dodecane-11',1''-cyclohexane]oxy]-3-{[(2R,3S,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl benzoate
Other name (1)：
  • 6-O-[4-O-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-mannopyranosyl)-2-azido-6-O-benzoyl-3-O-benzyl-2-deoxy-α-D-glucopyranosyl]-1-O-[[(1R)-menthyl]oxycarbonyl]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
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