Chem
J-GLOBAL ID：200907005598248585   Nikkaji number：J2.254.191I

Puerin B

プエリンB
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： C22H24O8
Molecular formula furigana： C22-H24-O8
Molecular weight： 416.426
InChI： InChI=1S/C22H24O8/c1-2-3-4-5-11-18-17(29-22(11)28)9-13(23)12-8-16(26)20(30-21(12)18)10-6-14(24)19(27)15(25)7-10/h6-7,9,11,16,20,23-27H,2-5,8H2,1H3/t11-,16-,20-/m1/s1
InChI key： QWZSFQOVAPABIE-VATIQMLTSA-N
SMILES： CCCCC[C@H]1C(=O)Oc2cc(O)c3C[C@@H](O)[C@H](Oc3c12)c1cc(O)c(O)c(O)c1
Systematic name  (3)：
  • (2R,3R,9R)-2-(3,4,5-トリ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)-8,11-ジヒドロキシ-3-ペンチル-12-(3,4,5-トリヒドロキシフェニル)-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)-8,11-dihydroxy-3-pentyl-12-(3,4,5-trihydroxyphenyl)-5,13-dioxatricyclo[7.4.0.02,6]trideca-1,6,8-trien-4-one
Other name (3)：
  • (2R,3R,9R)-2-(3,4,5-Trihydroxyphenyl)-3,5-dihydroxy-9-pentyl-3,4-dihydro-2H-furo[2,3-h]-1-benzopyran-8(9H)-one
  • プエリンB
  • Puerin B
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