Chem
J-GLOBAL ID：200907040028575949   Nikkaji number：J351.166I

(S)-1-(3,4-Dihydroxyphenyl)-5-(β-D-xylopyranosyloxy)-7-(4-hydroxyphenyl)-3-heptanone

(S)-1-(3,4-ジヒドロキシフェニル)-5-(β-D-キシロピラノシルオキシ)-7-(4-ヒドロキシフェニル)-3-ヘプタノン
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： C24H30O9
Molecular formula furigana： C24-H30-O9
Molecular weight： 462.495
InChI： InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1
InChI key： DAJUBFCWVHCYKM-RABNCREUSA-N
SMILES： O[C@@H]1CO[C@@H](O[C@@H](CCc2ccc(O)cc2)CC(=O)CCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Systematic name  (5)：
  • (S)-1-(3,4-ジヒドロキシフェニル)-7-(4-ヒドロキシフェニル)-5-(β-D-キシロピラノシルオキシ)ヘプタン-3-オン
  • (5S)-1-(3,4-ジヒドロキシフェニル)-7-(4-ヒドロキシフェニル)-5-(β-D-キシロピラノシルオキシ)ヘプタン-3-オン
  • (S)-1-(3,4-ジヒドロキシフェニル)-5-(β-D-キシロピラノシルオキシ)-7-(4-ヒドロキシフェニル)-3-ヘプタノン
  • (5S)-1-(3,4-ジヒドロキシフェニル)-7-(4-ヒドロキシフェニル)-5-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}ヘプタン-3-オン
  • (5S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}heptan-3-one
Other name (3)：
  • (S)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-(β-D-xylopyranosyloxy)heptan-3-one
  • (5S)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-(β-D-xylopyranosyloxy)heptane-3-one
  • (S)-1-(3,4-Dihydroxyphenyl)-5-(β-D-xylopyranosyloxy)-7-(4-hydroxyphenyl)-3-heptanone
Thsaurus map：
Thesaurus Map

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