Chem
J-GLOBAL ID:200907075121302667
Nikkaji number:J2.506.321J
1-O-Methyl-2-O,3-O,4-O-tribenzoyl-6-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-α-D-glucopyranose
1-O-メチル-2-O,3-O,4-O-トリベンゾイル-6-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-α-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 O18
Molecular formula furigana:
C42-H44-O18
Molecular weight:
836.796
InChI:
InChI=1S/C42H44O18/c1-23(43)51-21-30-32(53-24(2)44)34(54-25(3)45)37(55-26(4)46)42(57-30)52-22-31-33(58-38(47)27-15-9-6-10-16-27)35(59-39(48)28-17-11-7-12-18-28)36(41(50-5)56-31)60-40(49)29-19-13-8-14-20-29/h6-20,30-37,41-42H,21-22H2,1-5H3/t30-,31-,32-,33-,34+,35+,36-,37-,41+,42-/m1/s1
InChI key:
NBOGMAZIQQLGSI-RHZQRUEFSA-N
SMILES:
CO[C@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name (3):
1-O-メチル-2-O,3-O,4-O-トリベンゾイル-6-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-α-D-グルコピラノース
(2R,3R,4S,5R,6S)-4,5-ビス(ベンゾイルオキシ)-6-メトキシ-2-({[(2R,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}メチル)オキサン-3-イル ベンゾアート
(2R,3R,4S,5R,6S)-4,5-bis(benzoyloxy)-6-methoxy-2-({[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}methyl)oxan-3-yl benzoate
Other name (1):
1-O-Methyl-2-O,3-O,4-O-tribenzoyl-6-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-α-D-glucopyranose
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