Chem
J-GLOBAL ID：200907014445092348   Nikkaji number：J1.185.577F

6-O-[4-O-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-mannopyranosyl)-6-azido-2-(tert-butoxycarbonylamino)-3-O-benzyl-2,6-dideoxy-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)-6-アジド-2-(tert-ブトキシカルボニルアミノ)-3-O-ベンジル-2,6-ジデオキシ-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： C81H104N2[N-][N+]O18
Molecular formula furigana： C81-H104-N4-O18
Molecular weight： 1421.733
InChI： InChI=1S/C81H104N4O18/c1-52(2)59-39-38-53(3)44-60(59)95-78(87)98-69-68(70-72(101-80(99-70)40-24-12-25-41-80)73-71(69)100-81(102-73)42-26-13-27-43-81)97-75-63(84-77(86)103-79(4,5)6)66(90-48-56-32-18-9-19-33-56)65(61(93-75)45-83-85-82)96-76-74(92-50-58-36-22-11-23-37-58)67(91-49-57-34-20-10-21-35-57)64(89-47-55-30-16-8-17-31-55)62(94-76)51-88-46-54-28-14-7-15-29-54/h7-11,14-23,28-37,52-53,59-76H,12-13,24-27,38-51H2,1-6H3,(H,84,86)/t53-,59?,60?,61-,62-,63-,64-,65-,66-,67+,68+,69+,70-,71+,72+,73+,74+,75-,76-/m1/s1
InChI key： YILUXMISNGQTQP-DTGQACIISA-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](CN=[N+]=[N-])[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(=O)OC(C)(C)C
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)-6-アジド-2-(tert-ブトキシカルボニルアミノ)-3-O-ベンジル-2,6-ジデオキシ-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
  • (1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5R,6R)-6-(アジドメチル)-4-(ベンジルオキシ)-3-{[(tert-ブトキシ)カルボニル]アミノ}-5-{[(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}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]-7'-イル (5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル カルボナート
  • (1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5R,6R)-6-(azidomethyl)-4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-5-{[(2R,3S,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.02,6]dodecane-11',1''-cyclohexan]-7'-yl (5R)-5-methyl-2-(propan-2-yl)cyclohexyl carbonate
Other name (1)：
  • 6-O-[4-O-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-mannopyranosyl)-6-azido-2-(tert-butoxycarbonylamino)-3-O-benzyl-2,6-dideoxy-α-D-glucopyranosyl]-1-O-[[(1R)-menthyl]oxycarbonyl]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
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