Chem
J-GLOBAL ID：200907015256569725   Nikkaji number：J2.153.333E

Hyuganoside IV

ヒュウガノシドIV
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： C20H28O11
Molecular formula furigana： C20-H28-O11
Molecular weight： 444.433
InChI： InChI=1S/C20H28O11/c1-20(2,28)18-14(25)12-9(29-18)5-3-8(4-6-11(22)23)17(12)31-19-16(27)15(26)13(24)10(7-21)30-19/h3,5,10,13-16,18-19,21,24-28H,4,6-7H2,1-2H3,(H,22,23)/t10-,13-,14+,15+,16-,18-,19+/m1/s1
InChI key： DAVXSVGAHCHFQB-GIDDHENUSA-N
SMILES： CC(C)(O)[C@@H]1Oc2ccc(CCC(=O)O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2[C@@H]1O
Systematic name  (3)：
  • (2R)-2β-(1-メチル-1-ヒドロキシエチル)-3β-ヒドロキシ-4-(β-D-グルコピラノシルオキシ)-2,3-ジヒドロベンゾフラン-5-プロピオン酸
  • 3-[(2R,3S)-3-ヒドロキシ-2-(2-ヒドロキシプロパン-2-イル)-4-{[(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}-2,3-ジヒドロ-1-ベンゾフラン-5-イル]プロパン酸
  • 3-[(2R,3S)-3-hydroxy-2-(2-hydroxypropan-2-yl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
Other name (3)：
  • (2R)-2β-(1-Methyl-1-hydroxyethyl)-3β-hydroxy-4-(β-D-glucopyranosyloxy)-2,3-dihydrobenzofuran-5-propionic acid
  • ヒュウガノシドIV
  • Hyuganoside IV
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