Chem
J-GLOBAL ID：200907081396205211   Nikkaji number：J1.185.578D

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]-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]-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： C70H86N2[N-][N+]O16
Molecular formula furigana： C70-H86-N4-O16
Molecular weight： 1239.470
InChI： InChI=1S/C70H86N4O16/c1-68(2,3)90-67(76)73-53-57(79-42-48-29-15-6-16-30-48)56(51(39-72-74-71)82-65(53)85-58-54(75)59-62(88-69(86-59)35-21-9-22-36-69)63-61(58)87-70(89-63)37-23-10-24-38-70)84-66-64(81-44-50-33-19-8-20-34-50)60(80-43-49-31-17-7-18-32-49)55(78-41-47-27-13-5-14-28-47)52(83-66)45-77-40-46-25-11-4-12-26-46/h4-8,11-20,25-34,51-66,75H,9-10,21-24,35-45H2,1-3H3,(H,73,76)/t51-,52-,53-,54+,55-,56-,57-,58+,59+,60+,61-,62+,63+,64+,65-,66-/m1/s1
InChI key： NNYOXHMPJCDYFE-VXUPKQKOSA-N
SMILES： CC(C)(C)OC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]3[C@H]2O)O[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]1OCc1ccccc1
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]-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
  • tert-ブチル N-[(2R,3R,4R,5R,6R)-6-(アジドメチル)-4-(ベンジルオキシ)-2-[(1'S,2'S,6'R,7'S,8'S,9'S)-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]-8'-オロキシ]-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-3-イル]カルバマート
  • tert-butyl N-[(2R,3R,4R,5R,6R)-6-(azidomethyl)-4-(benzyloxy)-2-[(1'S,2'S,6'R,7'S,8'S,9'S)-dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.02,6]dodecane-11',1''-cyclohexan]-8'-oloxy]-5-{[(2R,3S,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-3-yl]carbamate
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]-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
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