Chem
J-GLOBAL ID:200907084929286315
Nikkaji number:J1.893.054D
1-O-(4-Methoxyphenyl)-4-O-[2-O,3-O,6-O-tribenzoyl-4-O-(2-O-benzoyl-3-O-allyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-β-D-galactopyranosyl]-β-D-glucopyranose 2,3,6-tribenzoate
1-O-(4-メトキシフェニル)-4-O-[2-O,3-O,6-O-トリベンゾイル-4-O-(2-O-ベンゾイル-3-O-アリル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノース2,3,6-トリベンゾアート
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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:
C84 H74 O24
Molecular formula furigana:
C84-H74-O24
Molecular weight:
1467.492
InChI:
InChI=1S/C84H74O24/c1-3-48-93-68-65-64(51-96-81(106-65)59-42-26-11-27-43-59)100-83(71(68)103-78(89)56-36-20-8-21-37-56)107-67-63(50-95-75(86)53-30-14-5-15-31-53)99-84(73(105-80(91)58-40-24-10-25-41-58)70(67)102-77(88)55-34-18-7-19-35-55)108-66-62(49-94-74(85)52-28-12-4-13-29-52)98-82(97-61-46-44-60(92-2)45-47-61)72(104-79(90)57-38-22-9-23-39-57)69(66)101-76(87)54-32-16-6-17-33-54/h3-47,62-73,81-84H,1,48-51H2,2H3/t62-,63-,64-,65+,66-,67+,68+,69+,70+,71-,72-,73-,81?,82-,83-,84+/m1/s1
InChI key:
XRRMGVGUGLFRFO-OSIRMKQSSA-N
SMILES:
COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](O[C@H]4O[C@@H]5COC(O[C@@H]5[C@H](OCC=C)[C@H]4OC(=O)c4ccccc4)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1
Systematic name (3):
1-O-(4-メトキシフェニル)-4-O-[2-O,3-O,6-O-トリベンゾイル-4-O-(2-O-ベンゾイル-3-O-アリル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノース2,3,6-トリベンゾアート
[(2R,3R,4S,5R,6S)-3-{[(2S,3R,4S,5S,6R)-5-{[(4aR,6R,7R,8S,8aS)-7-(ベンゾイルオキシ)-2-フェニル-8-(プロパ-2-エン-1-イルオキシ)-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-6-イル]オキシ}-3,4-ビス(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}-4,5-ビス(ベンゾイルオキシ)-6-(4-メトキシフェノキシ)オキサン-2-イル]メチル ベンゾアート
[(2R,3R,4S,5R,6S)-3-{[(2S,3R,4S,5S,6R)-5-{[(4aR,6R,7R,8S,8aS)-7-(benzoyloxy)-2-phenyl-8-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-3,4-bis(benzoyloxy)-6-[(benzoyloxy)methyl]oxan-2-yl]oxy}-4,5-bis(benzoyloxy)-6-(4-methoxyphenoxy)oxan-2-yl]methyl benzoate
Other name (1):
1-O-(4-Methoxyphenyl)-4-O-[2-O,3-O,6-O-tribenzoyl-4-O-(2-O-benzoyl-3-O-allyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-β-D-galactopyranosyl]-β-D-glucopyranose 2,3,6-tribenzoate
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