Chem
J-GLOBAL ID：200907008770091080   Nikkaji number：J2.661.798G

Phalerin

ファレリン
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： C20H22O10
Molecular formula furigana： C20-H22-O10
Molecular weight： 422.386
InChI： InChI=1S/C20H22O10/c1-28-11-4-2-9(3-5-11)15(23)10-6-12(22)16(24)13(7-10)29-20-19(27)18(26)17(25)14(8-21)30-20/h2-7,14,17-22,24-27H,8H2,1H3/t14-,17-,18+,19-,20-/m1/s1
InChI key： AFOCXHPTQBHIPH-LWUBGYQZSA-N
SMILES： COc1ccc(cc1)C(=O)c1cc(O)c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Systematic name  (3)：
  • 3-(β-D-グルコピラノシルオキシ)-4,5-ジヒドロキシ-4′-メトキシベンゾフェノン
  • (2S,3R,4S,5S,6R)-2-[2,3-ジヒドロキシ-5-(4-メトキシベンゾイル)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-[2,3-dihydroxy-5-(4-methoxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • 3-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-4′-methoxybenzophenone
  • ファレリン
  • Phalerin
CAS registry number： 869226-69-7
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