Chem
J-GLOBAL ID:200907001317127460   Nikkaji number:J2.133.604A

4-O-(2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-galactopyranosyl)-3-O,6-O-dibenzoyl-2-(4-chlorobenzoyloxyimino)-2-deoxy-α-D-glucopyranosyl bromide

4-O-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-ガラクトピラノシル)-3-O,6-O-ジベンゾイル-2-(4-クロロベンゾイルオキシイミノ)-2-デオキシ-α-D-グルコピラノシルブロミド
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: C61H47BrClNO17
Molecular formula furigana: C61-H47-BR-CL-N-O17
Molecular weight: 1181.390
InChI: InChI=1S/C61H47BrClNO17/c62-53-47(64-81-60(71)43-31-33-44(63)34-32-43)50(77-57(68)40-25-13-4-14-26-40)48(45(74-53)35-72-54(65)37-19-7-1-8-20-37)80-61-52(79-59(70)42-29-17-6-18-30-42)51(78-58(69)41-27-15-5-16-28-41)49(76-56(67)39-23-11-3-12-24-39)46(75-61)36-73-55(66)38-21-9-2-10-22-38/h1-34,45-46,48-53,61H,35-36H2/t45-,46-,48-,49+,50-,51+,52-,53+,61+/m1/s1
InChI key: WJTHTABCBCEOPB-BWBBUERPSA-N
SMILES: Clc1ccc(cc1)C(=O)ON=C1[C@@H](Br)O[C@H](COC(=O)c2ccccc2)[C@@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
Systematic name  (3):
  • 4-O-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-ガラクトピラノシル)-3-O,6-O-ジベンゾイル-2-(4-クロロベンゾイルオキシイミノ)-2-デオキシ-α-D-グルコピラノシルブロミド
  • [(2R,4R,5S,6R)-4-(ベンゾイルオキシ)-6-[(ベンゾイルオキシ)メチル]-2-ブロモ-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリス(ベンゾイルオキシ)-6-[(ベンゾイルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-3-イリデン]アミノ 4-クロロベンゾアート
  • [(2R,4R,5S,6R)-4-(benzoyloxy)-6-[(benzoyloxy)methyl]-2-bromo-5-{[(2S,3R,4S,5S,6R)-3,4,5-tris(benzoyloxy)-6-[(benzoyloxy)methyl]oxan-2-yl]oxy}oxan-3-ylidene]amino 4-chlorobenzoate
Other name (1):
  • 4-O-(2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-galactopyranosyl)-3-O,6-O-dibenzoyl-2-(4-chlorobenzoyloxyimino)-2-deoxy-α-D-glucopyranosyl bromide
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