Chem
J-GLOBAL ID：200907031700980980   Nikkaji number：J585.618C

Cinchonain Ib

シンコナインIb
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+/m0/s1
InChI key： LKCOZWLUAKSRQM-IBUUURQNSA-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  (5)：
  • 3,4,9,10-テトラヒドロ-2α,10β-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
  • (2R)-2α,10β-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)-3α,5-ジヒドロキシ-2α,10β-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,5R,14S)-4,14-ビス(3,4-ジヒドロキシフェニル)-5,8-ジヒドロキシ-3,11-ジオキサトリシクロ[8.4.0.02,7]テトラデカ-1,7,9-トリエン-12-オン
  • (4R,5R,14S)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.02,7]tetradeca-1,7,9-trien-12-one
Other name (5)：
  • 3,4,9,10-Tetrahydro-2α,10β-bis(3,4-dihydroxyphenyl)-3α,5-dihydroxy-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
  • (2R)-2α,10β-Bis(3,4-dihydroxyphenyl)-3α,5-dihydroxy-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
  • (2R)-3α,5-Dihydroxy-2α,10β-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
  • シンコナインIb
  • Cinchonain Ib
CAS registry number： 85022-69-1
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