Chem
J-GLOBAL ID：200907062000155301   Nikkaji number：J1.296.856F

Cinchonain Ia

シンコナインIa
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： C24H20O9
Molecular formula furigana： C24-H20-O9
Molecular weight： 452.415
InChI： InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1
InChI key： LKCOZWLUAKSRQM-UMAWSMADSA-N
SMILES： O[C@@H]1Cc2c(O)cc3OC(=O)C[C@H](c4ccc(O)c(O)c4)c3c2O[C@@H]1c1ccc(O)c(O)c1
Systematic name  (7)：
  • (2R)-2α,10α-ビス(3,4-ジヒドロキシフェニル)-3α,5-ジヒドロキシ-3,4,9,10-テトラヒドロ-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-8-オン
  • (2R,3R,10R)-2,10-ビス(3,4-ジヒドロキシフェニル)-3,5-ジヒドロキシ-3,4,9,10-テトラヒドロ-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-8-オン
  • (2R)-3α,5-ジヒドロキシ-2α,10α-ビス(3,4-ジヒドロキシフェニル)-3,4,9,10-テトラヒドロ-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-8-オン
  • (4R)-4α,6α-ビス(3,4-ジヒドロキシフェニル)-7α,9-ジヒドロキシ-2,3,4,6,7,8-ヘキサヒドロ-1,5-ジオキサフェナントレン-2-オン
  • 3,4,9,10-テトラヒドロ-2α,10α-ビス(3,4-ジヒドロキシフェニル)-3α,5-ジヒドロキシ-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-8-オン
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Other name (7)：
  • (2R)-2α,10α-Bis(3,4-dihydroxyphenyl)-3α,5-dihydroxy-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
  • シンコナインIa
  • Cinchonain Ia
  • (2R,3R,10R)-2,10-Bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
  • (2R)-3α,5-Dihydroxy-2α,10α-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
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CAS registry number： 85081-24-9
KEGG COMPOUND： C10217
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