Chem
J-GLOBAL ID:200907094000545141   Nikkaji number:J687.755I

(+)-erythro-(7S,8R)-Δ8′-4,7-Dihydroxy-3,3′,5′-trimethoxy-8-O-4′-neolignan

(+)-erythro-(7S,8R)-Δ8′-4,7-ジヒドロキシ-3,3′,5′-トリメトキシ-8-O-4′-ネオリグナン
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: C21H26O6
Molecular formula furigana: C21-H26-O6
Molecular weight: 374.433
InChI: InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3/t13-,20-/m1/s1
InChI key: ULZFTGWWPHYLGI-ZUOKHONESA-N
SMILES: COc1cc(ccc1O)[C@H](O)[C@@H](C)Oc1c(OC)cc(CC=C)cc1OC
Systematic name  (4):
  • (1S,2R)-1-(3-メトキシ-4-ヒドロキシフェニル)-2-(2,6-ジメトキシ-4-アリルフェノキシ)-1-プロパノール
  • (1S,2R)-2-(4-アリル-2,6-ジメトキシフェノキシ)-1-(4-ヒドロキシ-3-メトキシフェニル)-1-プロパノール
  • 4-[(1S,2R)-2-[2,6-ジメトキシ-4-(プロパ-2-エン-1-イル)フェノキシ]-1-ヒドロキシプロピル]-2-メトキシフェノール
  • 4-[(1S,2R)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]-1-hydroxypropyl]-2-methoxyphenol
Other name (4):
  • (1S,2R)-1-(3-Methoxy-4-hydroxyphenyl)-2-(2,6-dimethoxy-4-allylphenoxy)-1-propanol
  • (1S,2R)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol
  • (+)-erythro-(7S,8R)-Δ8′-4,7-ジヒドロキシ-3,3′,5′-トリメトキシ-8-O-4′-ネオリグナン
  • (+)-erythro-(7S,8R)-Δ8′-4,7-Dihydroxy-3,3′,5′-trimethoxy-8-O-4′-neolignan
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