Chem
J-GLOBAL ID：200907008018325595   Nikkaji number：J2.254.190K

Puerin A

プエリンA
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： C22H24O7
Molecular formula furigana： C22-H24-O7
Molecular weight： 400.427
InChI： InChI=1S/C22H24O7/c1-2-3-4-5-12-19-18(28-22(12)27)10-15(24)13-9-17(26)20(29-21(13)19)11-6-7-14(23)16(25)8-11/h6-8,10,12,17,20,23-26H,2-5,9H2,1H3/t12-,17-,20-/m1/s1
InChI key： BOMDHCKLCGIRCH-WYAVIUHXSA-N
SMILES： CCCCC[C@H]1C(=O)Oc2cc(O)c3C[C@@H](O)[C@H](Oc3c12)c1ccc(O)c(O)c1
Systematic name  (3)：
  • (2R,3R,9R)-2-(3,4-ジヒドロキシフェニル)-3,5-ジヒドロキシ-9-ペンチル-3,4-ジヒドロ-2H-フロ[2,3-h]-1-ベンゾピラン-8(9H)-オン
  • (3R,11R,12R)-12-(3,4-ジヒドロキシフェニル)-8,11-ジヒドロキシ-3-ペンチル-5,13-ジオキサトリシクロ[7.4.0.02,6]トリデカ-1,6,8-トリエン-4-オン
  • (3R,11R,12R)-12-(3,4-dihydroxyphenyl)-8,11-dihydroxy-3-pentyl-5,13-dioxatricyclo[7.4.0.02,6]trideca-1,6,8-trien-4-one
Other name (3)：
  • (2R,3R,9R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-9-pentyl-3,4-dihydro-2H-furo[2,3-h]-1-benzopyran-8(9H)-one
  • プエリンA
  • Puerin A
Thsaurus map：
Thesaurus Map

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