Chem
J-GLOBAL ID：200907065072617635
Nikkaji number：J1.616.591C
1-O-[(2E)-2-(Acetoxymethyl)-4-acetoxy-2-butenyl]-β-D-allopyranose 2,3,6-tris(3,4-diacetoxyphenylacetate)
1-O-[(2E)-2-(アセトキシメチル)-4-アセトキシ-2-ブテニル]-β-D-アロピラノース2,3,6-トリス(3,4-ジアセトキシフェニルアセタート)
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
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
Molecular formula： C51H54O25
Molecular formula furigana： C51-H54-O25
Molecular weight： 1066.968
InChI：
InChI=1S/C51H54O25/c1-26(52)64-16-15-37(23-65-27(2)53)24-67-51-50(76-47(62)22-36-11-14-40(70-30(5)56)43(19-36)73-33(8)59)49(75-46(61)21-35-10-13-39(69-29(4)55)42(18-35)72-32(7)58)48(63)44(74-51)25-66-45(60)20-34-9-12-38(68-28(3)54)41(17-34)71-31(6)57/h9-15,17-19,44,48-51,63H,16,20-25H2,1-8H3/b37-15-/t44-,48-,49-,50-,51-/m1/s1
InChI key：
SNRURGAXIZOLKL-LIORDWPMSA-N
SMILES：
CC(=O)OC/C=C(\CO[C@@H]1O[C@H](COC(=O)Cc2ccc(OC(=O)C)c(OC(=O)C)c2)[C@@H](O)[C@@H](OC(=O)Cc2ccc(OC(=O)C)c(OC(=O)C)c2)[C@H]1OC(=O)Cc1ccc(OC(=O)C)c(OC(=O)C)c1)/COC(=O)C
Systematic name (3)：
- 1-O-[(2E)-2-(アセトキシメチル)-4-アセトキシ-2-ブテニル]-β-D-アロピラノース2,3,6-トリス(3,4-ジアセトキシフェニルアセタート)
- (2E)-4-(アセチルオキシ)-2-({[(2R,3R,4R,5R,6R)-3,4-ビス({2-[3,4-ビス(アセチルオキシ)フェニル]アセチル}オキシ)-6-[({2-[3,4-ビス(アセチルオキシ)フェニル]アセチル}オキシ)メチル]-5-ヒドロキシオキサン-2-イル]オキシ}メチル)ブタ-2-エン-1-イル アセタート
- (2E)-4-(acetyloxy)-2-({[(2R,3R,4R,5R,6R)-3,4-bis({2-[3,4-bis(acetyloxy)phenyl]acetyl}oxy)-6-[({2-[3,4-bis(acetyloxy)phenyl]acetyl}oxy)methyl]-5-hydroxyoxan-2-yl]oxy}methyl)but-2-en-1-yl acetate
- 1-O-[(2E)-2-(Acetoxymethyl)-4-acetoxy-2-butenyl]-β-D-allopyranose 2,3,6-tris(3,4-diacetoxyphenylacetate)
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