Chem
J-GLOBAL ID:200907093202130770
Nikkaji number:J1.361.781C
3,4-Di(benzyloxy)phenethyl 6-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-[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
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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:
C56 H58 O15
Molecular formula furigana:
C56-H58-O15
Molecular weight:
971.065
InChI:
InChI=1S/C56H58O15/c57-43-35-69-55(52(61)50(43)59)71-54-51(60)48(36-68-49(58)26-23-37-21-24-44(64-31-39-13-5-1-6-14-39)46(29-37)66-33-41-17-9-3-10-18-41)70-56(53(54)62)63-28-27-38-22-25-45(65-32-40-15-7-2-8-16-40)47(30-38)67-34-42-19-11-4-12-20-42/h1-26,29-30,43,48,50-57,59-62H,27-28,31-36H2/t43-,48-,50+,51-,52-,53-,54+,55+,56-/m1/s1
InChI key:
SQYJSCCQZLBWGA-SUDHDAEMSA-N
SMILES:
O[C@@H]1CO[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)C=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)O[C@@H](OCCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)[C@@H]2O)[C@H](O)[C@H]1O
Systematic name (3):
3,4-ジ(ベンジルオキシ)フェネチル6-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,4S,5R,6R)-6-{2-[3,4-ビス(ベンジルオキシ)フェニル]エトキシ}-3,5-ジヒドロキシ-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-2-イル]メチル 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)-6-{2-[3,4-bis(benzyloxy)phenyl]ethoxy}-3,5-dihydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl 3-[3,4-bis(benzyloxy)phenyl]prop-2-enoate
Other name (1):
3,4-Di(benzyloxy)phenethyl 6-O-[3-[3,4-di(benzyloxy)phenyl]propenoyl]-3-O-β-D-xylopyranosyl-β-D-glucopyranoside
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