Chem
J-GLOBAL ID：200907094977285245   Nikkaji number：J2.341.072I

Tupichilignan A

ツピキリグナンA
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： C22H26O7
Molecular formula furigana： C22-H26-O7
Molecular weight： 402.443
InChI： InChI=1S/C22H26O7/c1-25-16-7-5-13(10-18(16)27-3)9-15-12-29-22(24)20(15)21(23)14-6-8-17(26-2)19(11-14)28-4/h5-8,10-11,15,20-21,23H,9,12H2,1-4H3/t15-,20-,21-/m0/s1
InChI key： SQPPZCWSVRTATK-JHVJFLLYSA-N
SMILES： COc1ccc(C[C@H]2COC(=O)[C@@H]2[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC
Systematic name  (3)：
  • (3R)-3α-(3,4-ジメトキシベンジル)-4β-[(R)-α-ヒドロキシ-3,4-ジメトキシベンジル]テトラヒドロフラン-5-オン
  • (3S,4R)-3-[(R)-(3,4-ジメトキシフェニル)(ヒドロキシ)メチル]-4-[(3,4-ジメトキシフェニル)メチル]オキソラン-2-オン
  • (3S,4R)-3-[(R)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Other name (3)：
  • (3R)-3α-(3,4-Dimethoxybenzyl)-4β-[(R)-α-hydroxy-3,4-dimethoxybenzyl]tetrahydrofuran-5-one
  • ツピキリグナンA
  • Tupichilignan A
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