Chem
J-GLOBAL ID：200907049011729427   Nikkaji number：J1.361.776G

3,4-Di(benzyloxy)phenethyl 2-O,6-O-diacetyl-4-O-[3-[3,4-di(benzyloxy)phenyl]propenoyl]-β-D-glucopyranoside

3,4-ジ(ベンジルオキシ)フェネチル2-O,6-O-ジアセチル-4-O-[3-[3,4-ジ(ベンジルオキシ)フェニル]プロペノイル]-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： C55H54O13
Molecular formula furigana： C55-H54-O13
Molecular weight： 923.024
InChI： InChI=1S/C55H54O13/c1-38(56)61-37-50-53(68-51(58)28-25-40-23-26-46(62-33-42-15-7-3-8-16-42)48(31-40)64-35-44-19-11-5-12-20-44)52(59)54(66-39(2)57)55(67-50)60-30-29-41-24-27-47(63-34-43-17-9-4-10-18-43)49(32-41)65-36-45-21-13-6-14-22-45/h3-28,31-32,50,52-55,59H,29-30,33-37H2,1-2H3/t50-,52+,53-,54-,55-/m1/s1
InChI key： ULRFRHOANGKCJS-XDCBKMNOSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](OCCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H](OC(=O)C)[C@@H](O)[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2-O,6-O-ジアセチル-4-O-[3-[3,4-ジ(ベンジルオキシ)フェニル]プロペノイル]-β-D-グルコピラノシド
  • (2R,3S,4S,5R,6R)-5-(アセチルオキシ)-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}-4-ヒドロキシオキサン-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,3S,4S,5R,6R)-5-(acetyloxy)-2-[(acetyloxy)methyl]-6-{2-[3,4-bis(benzyloxy)phenyl]ethoxy}-4-hydroxyoxan-3-yl 3-[3,4-bis(benzyloxy)phenyl]prop-2-enoate
Other name (1)：
  • 3,4-Di(benzyloxy)phenethyl 2-O,6-O-diacetyl-4-O-[3-[3,4-di(benzyloxy)phenyl]propenoyl]-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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