Chem
J-GLOBAL ID：200907042385743933   Nikkaji number：J727.467J

Nothofagin

ノトファギン
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： C21H24O10
Molecular formula furigana： C21-H24-O10
Molecular weight： 436.413
InChI： InChI=1S/C21H24O10/c22-8-14-17(27)19(29)20(30)21(31-14)16-13(26)7-12(25)15(18(16)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-2,4-5,7,14,17,19-23,25-30H,3,6,8H2/t14-,17-,19+,20-,21+/m1/s1
InChI key： VZBPTZZTCBNBOZ-VJXVFPJBSA-N
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O
Systematic name  (3)：
  • 1-(3-β-D-グルコピラノシル-2,4,6-トリヒドロキシフェニル)-3-(4-ヒドロキシフェニル)-1-プロパノン
  • 3-(4-ヒドロキシフェニル)-1-{2,4,6-トリヒドロキシ-3-[(2S,3R,4R,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]フェニル}プロパン-1-オン
  • 3-(4-hydroxyphenyl)-1-{2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one
Other name (3)：
  • ノトファギン
  • Nothofagin
  • 1-(3-β-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
CAS registry number： 11023-94-2
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