Chem
J-GLOBAL ID：200907082759523063   Nikkaji number：J182.010I

Daphneticin

ダフネチシン
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： C20H18O8
Molecular formula furigana： C20-H18-O8
Molecular weight： 386.356
InChI： InChI=1S/C20H18O8/c1-24-13-7-11(8-14(25-2)17(13)23)18-15(9-21)27-20-12(26-18)5-3-10-4-6-16(22)28-19(10)20/h3-8,15,18,21,23H,9H2,1-2H3/t15-,18-/m1/s1
InChI key： QLFQDIADUIVNRF-CRAIPNDOSA-N
SMILES： COc1cc(cc(OC)c1O)[C@H]1Oc2ccc3ccc(=O)oc3c2O[C@@H]1CO
Systematic name  (3)：
  • (2R)-2,3-ジヒドロ-3β-(4-ヒドロキシ-3,5-ジメトキシフェニル)-2α-(ヒドロキシメチル)-9H-ピラノ[2,3-f]-1,4-ベンゾジオキシン-9-オン
  • (2R,3R)-3-(4-ヒドロキシ-3,5-ジメトキシフェニル)-2-(ヒドロキシメチル)-2H,3H,9H-[1,4]ジオキシノ[2,3-h]クロメン-9-オン
  • (2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2H,3H,9H-[1,4]dioxino[2,3-h]chromen-9-one
Other name (3)：
  • ダフネチシン
  • Daphneticin
  • (2R)-2,3-Dihydro-3β-(4-hydroxy-3,5-dimethoxyphenyl)-2α-(hydroxymethyl)-9H-pyrano[2,3-f]-1,4-benzodioxin-9-one
CAS registry number： 83327-22-4
KEGG COMPOUND： C09924
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