Chem
J-GLOBAL ID：200907082559279303   Nikkaji number：J324.135A

Phillyrin

フィリリン
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： C27H34O11
Molecular formula furigana： C27-H34-O11
Molecular weight： 534.558
InChI： InChI=1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3/t15-,16-,21+,22+,23-,24+,25-,26+,27+/m0/s1
InChI key： KFFCKOBAHMGTMW-LGQRSHAYSA-N
SMILES： COc1ccc(cc1OC)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
Systematic name  (4)：
  • (1S)-1β-[4-(β-D-グルコピラノシルオキシ)-3-メトキシフェニル]-4α-(3,4-ジメトキシフェニル)-3aβ,4,6,6aβ-テトラヒドロ-1H,3H-フロ[3,4-c]フラン
  • 2-メトキシ-4-[(3aβ,6aβ)-4α-(3,4-ジメトキシフェニル)テトラヒドロ-1H,4H-フロ[3,4-c]フラン-1β-イル]フェニルβ-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{4-[(1S,3aR,4R,6aR)-4-(3,4-ジメトキシフェニル)-ヘキサヒドロフロ[3,4-c]フラン-1-イル]-2-メトキシフェノキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{4-[(1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (6)：
  • (1S)-1β-[4-(β-D-Glucopyranosyloxy)-3-methoxyphenyl]-4α-(3,4-dimethoxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furan
  • フィリリン
  • Phillyrin
  • (+)-フィリリン
  • (+)-Phillyrin
Show all
CAS registry number： 487-41-2
KEGG COMPOUND： C17048
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