Chem
J-GLOBAL ID:200907017981197038   Nikkaji number:J1.655.786B

3-Azidopropyl 2-O,3-O,6-O-tribenzoyl-4-O-(2-O-benzoyl-4-O,6-O-benzylidene-β-D-glucopyranosyl)-β-D-glucopyranoside

3-アジドプロピル2-O,3-O,6-O-トリベンゾイル-4-O-(2-O-ベンゾイル-4-O,6-O-ベンジリデン-β-D-グルコピラノシル)-β-D-グルコピラノシド
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: C50H47N[N-][N+]O15
Molecular formula furigana: C50-H47-N3-O15
Molecular weight: 929.932
InChI: InChI=1S/C50H47N3O15/c51-53-52-27-16-28-59-49-43(66-47(58)34-23-12-4-13-24-34)42(65-46(57)33-21-10-3-11-22-33)40(37(62-49)29-60-44(55)31-17-6-1-7-18-31)68-50-41(64-45(56)32-19-8-2-9-20-32)38(54)39-36(63-50)30-61-48(67-39)35-25-14-5-15-26-35/h1-15,17-26,36-43,48-50,54H,16,27-30H2/t36-,37-,38+,39-,40-,41-,42+,43-,48?,49-,50+/m1/s1
InChI key: OWCCREYENSMPFD-WLXYOUBNSA-N
SMILES: O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O[C@@H]2[C@@H](COC(=O)c3ccccc3)O[C@@H](OCCCN=[N+]=[N-])[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)O[C@@H]2COC(O[C@@H]12)c1ccccc1
Systematic name  (3):
  • 3-アジドプロピル2-O,3-O,6-O-トリベンゾイル-4-O-(2-O-ベンゾイル-4-O,6-O-ベンジリデン-β-D-グルコピラノシル)-β-D-グルコピラノシド
  • (4aR,6S,7R,8S,8aS)-6-{[(2R,3R,4S,5R,6R)-6-(3-アジドプロポキシ)-4,5-ビス(ベンゾイルオキシ)-2-[(ベンゾイルオキシ)メチル]オキサン-3-イル]オキシ}-8-ヒドロキシ-2-フェニル-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-7-イル ベンゾアート
  • (4aR,6S,7R,8S,8aS)-6-{[(2R,3R,4S,5R,6R)-6-(3-azidopropoxy)-4,5-bis(benzoyloxy)-2-[(benzoyloxy)methyl]oxan-3-yl]oxy}-8-hydroxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl benzoate
Other name (1):
  • 3-Azidopropyl 2-O,3-O,6-O-tribenzoyl-4-O-(2-O-benzoyl-4-O,6-O-benzylidene-β-D-glucopyranosyl)-β-D-glucopyranoside
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