Chem
J-GLOBAL ID:200907010258532452   Nikkaji number:J1.361.778C

3,4-Di(benzyloxy)phenethyl 2-O,6-O-diacetyl-4-O-[3-[3,4-di(benzyloxy)phenyl]propenoyl]-3-O-(2-O,3-O,4-O-triacetyl-β-D-xylopyranosyl)-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]-3-O-(2-O,3-O,4-O-トリアセチル-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: C66H68O20
Molecular formula furigana: C66-H68-O20
Molecular weight: 1181.250
InChI: InChI=1S/C66H68O20/c1-42(67)74-40-58-60(85-59(72)31-28-47-26-29-53(75-36-49-18-10-6-11-19-49)55(34-47)77-38-51-22-14-8-15-23-51)62(86-66-63(82-45(4)70)61(81-44(3)69)57(41-79-66)80-43(2)68)64(83-46(5)71)65(84-58)73-33-32-48-27-30-54(76-37-50-20-12-7-13-21-50)56(35-48)78-39-52-24-16-9-17-25-52/h6-31,34-35,57-58,60-66H,32-33,36-41H2,1-5H3/t57-,58-,60-,61+,62+,63-,64-,65-,66+/m1/s1
InChI key: ZUYMABYQHFUFSM-HAVZULMHSA-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]2OC[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[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]-3-O-(2-O,3-O,4-O-トリアセチル-β-D-キシロピラノシル)-β-D-グルコピラノシド
  • (2R,3R,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-{[(2S,3R,4S,5R)-3,4,5-トリス(アセチルオキシ)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,4S,5R,6R)-5-(acetyloxy)-2-[(acetyloxy)methyl]-6-{2-[3,4-bis(benzyloxy)phenyl]ethoxy}-4-{[(2S,3R,4S,5R)-3,4,5-tris(acetyloxy)oxan-2-yl]oxy}oxan-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]-3-O-(2-O,3-O,4-O-triacetyl-β-D-xylopyranosyl)-β-D-glucopyranoside
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