Chem
J-GLOBAL ID：200907021247654922   Nikkaji number：J1.185.570I

6-O-[4-O-(2-O-Acetyl-3-O,4-O,6-O-tribenzyl-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-アセチル-3-O,4-O,6-O-トリベンジル-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： C78H95N[N-][N+]O19
Molecular formula furigana： C78-H95-N3-O19
Molecular weight： 1378.620
InChI： InChI=1S/C78H95N3O19/c1-49(2)57-37-36-50(3)42-58(57)93-76(84)96-67-66(68-70(99-77(97-68)38-22-10-23-39-77)71-69(67)98-78(100-71)40-24-11-25-41-78)95-74-61(80-81-79)64(87-45-54-30-16-7-17-31-54)63(60(91-74)48-89-73(83)56-34-20-9-21-35-56)94-75-72(90-51(4)82)65(88-46-55-32-18-8-19-33-55)62(86-44-53-28-14-6-15-29-53)59(92-75)47-85-43-52-26-12-5-13-27-52/h5-9,12-21,26-35,49-50,57-72,74-75H,10-11,22-25,36-48H2,1-4H3/t50-,57?,58?,59-,60-,61-,62-,63-,64-,65+,66+,67+,68-,69+,70+,71+,72+,74-,75-/m1/s1
InChI key： RUAVFNDNCIVWTQ-AOMLRBDBSA-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]2OC(=O)C)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
Systematic name  (3)：
  • 6-O-[4-O-(2-O-アセチル-3-O,4-O,6-O-トリベンジル-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)-3-{[(2R,3S,4S,5R,6R)-3-(アセチルオキシ)-4,5-ビス(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}-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]オキサン-2-イル]メチル ベンゾアート
  • [(2R,3S,4R,5R,6R)-3-{[(2R,3S,4S,5R,6R)-3-(acetyloxy)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}-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]oxan-2-yl]methyl benzoate
Other name (1)：
  • 6-O-[4-O-(2-O-Acetyl-3-O,4-O,6-O-tribenzyl-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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