Chem
J-GLOBAL ID:200907005320836885
Nikkaji number:J2.506.323F
1-O-Octyl-2-O,3-O,4-O,6-O-tetrabenzoyl-β-D-glucopyranose
1-O-オクチル-2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノース
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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:
C42 H44 O10
Molecular formula furigana:
C42-H44-O10
Molecular weight:
708.804
InChI:
InChI=1S/C42H44O10/c1-2-3-4-5-6-19-28-47-42-37(52-41(46)33-26-17-10-18-27-33)36(51-40(45)32-24-15-9-16-25-32)35(50-39(44)31-22-13-8-14-23-31)34(49-42)29-48-38(43)30-20-11-7-12-21-30/h7-18,20-27,34-37,42H,2-6,19,28-29H2,1H3/t34-,35-,36+,37-,42-/m1/s1
InChI key:
JTFYPKWJQGZYHO-XBQZPALJSA-N
SMILES:
CCCCCCCCO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name (3):
1-O-オクチル-2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノース
[(2R,3R,4S,5R,6R)-3,4,5-トリス(ベンゾイルオキシ)-6-(オクチルオキシ)オキサン-2-イル]メチル ベンゾアート
[(2R,3R,4S,5R,6R)-3,4,5-tris(benzoyloxy)-6-(octyloxy)oxan-2-yl]methyl benzoate
Other name (1):
1-O-Octyl-2-O,3-O,4-O,6-O-tetrabenzoyl-β-D-glucopyranose
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