Chem
J-GLOBAL ID：200907062775626548   Nikkaji number：J1.361.782A

3,4-Di(benzyloxy)phenethyl 6-O-acetyl-4-O-[3-[3,4-di(benzyloxy)phenyl]propenoyl]-3-O-β-D-xylopyranosyl-β-D-glucopyranoside

3,4-ジ(ベンジルオキシ)フェネチル6-O-アセチル-4-O-[3-[3,4-ジ(ベンジルオキシ)フェニル]プロペノイル]-3-O-β-D-キシロピラノシル-β-D-グルコピラノシド
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： C58H60O16
Molecular formula furigana： C58-H60-O16
Molecular weight： 1013.102
InChI： InChI=1S/C58H60O16/c1-38(59)66-37-50-55(73-51(61)27-24-39-22-25-46(67-32-41-14-6-2-7-15-41)48(30-39)69-34-43-18-10-4-11-19-43)56(74-57-53(63)52(62)45(60)36-71-57)54(64)58(72-50)65-29-28-40-23-26-47(68-33-42-16-8-3-9-17-42)49(31-40)70-35-44-20-12-5-13-21-44/h2-27,30-31,45,50,52-58,60,62-64H,28-29,32-37H2,1H3/t45-,50-,52+,53-,54-,55-,56-,57+,58-/m1/s1
InChI key： XLCPUCHNJDOPAN-KLFVJLQJSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](OCCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OC(=O)C=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Systematic name  (3)：
  • 3,4-ジ(ベンジルオキシ)フェネチル6-O-アセチル-4-O-[3-[3,4-ジ(ベンジルオキシ)フェニル]プロペノイル]-3-O-β-D-キシロピラノシル-β-D-グルコピラノシド
  • (2R,3R,4R,5R,6R)-2-[(アセチルオキシ)メチル]-6-{2-[3,4-ビス(ベンジルオキシ)フェニル]エトキシ}-5-ヒドロキシ-4-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-3-イル 3-[3,4-ビス(ベンジルオキシ)フェニル]プロパ-2-エノアート
  • (2R,3R,4R,5R,6R)-2-[(acetyloxy)methyl]-6-{2-[3,4-bis(benzyloxy)phenyl]ethoxy}-5-hydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl 3-[3,4-bis(benzyloxy)phenyl]prop-2-enoate
Other name (1)：
  • 3,4-Di(benzyloxy)phenethyl 6-O-acetyl-4-O-[3-[3,4-di(benzyloxy)phenyl]propenoyl]-3-O-β-D-xylopyranosyl-β-D-glucopyranoside
Thsaurus map：
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