Chem
J-GLOBAL ID:200907022379749821   Nikkaji number:J14.374J

Sakuranin

サクラニン
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: C22H24O10
Molecular formula furigana: C22-H24-O10
Molecular weight: 448.424
InChI: InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1
InChI key: NEPMMBQHELYZIW-YMTXFHFDSA-N
SMILES: COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)cc1
Systematic name  (4):
  • (S)-5-(β-D-グルコピラノシルオキシ)-2,3-ジヒドロ-2α-(4-ヒドロキシフェニル)-7-メトキシ-4H-1-ベンゾピラン-4-オン
  • [S,(-)]-5-(β-D-グルコピラノシルオキシ)-2,3-ジヒドロ-2-(4-ヒドロキシフェニル)-7-メトキシ-4H-1-ベンゾピラン-4-オン
  • (2S)-2-(4-ヒドロキシフェニル)-7-メトキシ-5-{[(2S,3R,4S,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]オキシ}-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
Other name (5):
  • (-)-サクラニン
  • (-)-Sakuranin
  • [S,(-)]-5-(β-D-Glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • サクラニン
  • Sakuranin
CAS registry number: 529-39-5
KEGG COMPOUND: C17391
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