Chem
J-GLOBAL ID：200907003540378486   Nikkaji number：J2.762.687D

Abiesinol F

アビエシノールF
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： C30H22O10
Molecular formula furigana： C30-H22-O10
Molecular weight： 542.496
InChI： InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30+/m1/s1
InChI key： RNDNBGULZNCSNB-QCWIYXSRSA-N
SMILES： O[C@@H]1Cc2c(O)cc3OC(=O)[C@]4([C@H](Oc5cc(O)cc(O)c45)c4ccc(O)cc4)c3c2O[C@@H]1c1ccc(O)cc1
Systematic name  (3)：
  • (2R,2′R,3S,3′R)-2,2′-ビス(4-ヒドロキシフェニル)-3′,4,5′,6-テトラヒドロキシ-3′,4′-ジヒドロスピロ[ベンゾフラン-3(2H),9′-[2H]フロ[2,3-h][1]ベンゾピラン]-8′-オン
  • (2R,3S,11'R,12'R)-4,6,8',11'-テトラヒドロキシ-2,12'-ビス(4-ヒドロキシフェニル)-2H-5',13'-ジオキサスピロ[1-ベンゾフラン-3,3'-トリシクロ[7.4.0.02,6]トリデカン]-1',6',8'-トリエン-4'-オン
  • (2R,3S,11'R,12'R)-4,6,8',11'-tetrahydroxy-2,12'-bis(4-hydroxyphenyl)-2H-5',13'-dioxaspiro[1-benzofuran-3,3'-tricyclo[7.4.0.02,6]tridecane]-1',6',8'-trien-4'-one
Other name (3)：
  • (2R,2′R,3S,3′R)-2,2′-Bis(4-hydroxyphenyl)-3′,4,5′,6-tetrahydroxy-3′,4′-dihydrospiro[benzofuran-3(2H),9′-[2H]furo[2,3-h][1]benzopyran]-8′-one
  • アビエシノールF
  • Abiesinol F
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