Chem
J-GLOBAL ID：200907010658199434   Nikkaji number：J650.629A

cis-Tiliroside

cis-チリロシド
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： C30H26O13
Molecular formula furigana： C30-H26-O13
Molecular weight： 594.525
InChI： InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3-/t21-,24-,26+,27-,30+/m1/s1
InChI key： DVGGLGXQSFURLP-PYFXTMFGSA-N
SMILES： O[C@@H]1[C@@H](COC(=O)/C=C\c2ccc(O)cc2)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c2ccc(O)cc2)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 3-[[6-O-[(Z)-3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]-β-D-グルコピラノシル]オキシ]-5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-4H-1-ベンゾピラン-4-オン
  • 5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-3-[6-O-[(Z)-3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]-β-D-グルコピラノシルオキシ]-4H-1-ベンゾピラン-4-オン
  • [(2R,3S,4S,5R,6S)-6-{[5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-4-オキソ-4H-クロメン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル (2Z)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
  • [(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (6)：
  • cis-チリロシド
  • cis-Tiliroside
  • 3-[[6-O-[(Z)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[6-O-[(Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4H-1-benzopyran-4-one
  • Kampferol-3-β-D-(6-O-cis-p-coumaroyl)glucopyranoside
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