Chem
J-GLOBAL ID：200907097368146610   Nikkaji number：J2.089.093B

Dichotomoside A

ジコトモシドA
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： C26H32O13
Molecular formula furigana： C26-H32-O13
Molecular weight： 552.529
InChI： InChI=1S/C26H32O13/c1-36-16-9-12(3-5-19(28)29)7-14(21(16)32)15-8-13(4-6-20(30)31)10-17(37-2)25(15)39-26-24(35)23(34)22(33)18(11-27)38-26/h7-10,18,22-24,26-27,32-35H,3-6,11H2,1-2H3,(H,28,29)(H,30,31)/t18-,22-,23+,24-,26+/m1/s1
InChI key： CMWSNZIIKSIMDM-OKOABTSWSA-N
SMILES： COc1cc(CCC(=O)O)cc(c1O)c1cc(CCC(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 5,5′-ジメトキシ-6-(β-D-グルコピラノシルオキシ)-6′-ヒドロキシビフェニル-3,3′-ビスプロピオン酸
  • 3-[5'-(2-カルボキシエチル)-6-ヒドロキシ-3',5-ジメトキシ-2'-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-[1,1'-ビフェニル]-3-イル]プロパン酸
  • 3-[5'-(2-carboxyethyl)-6-hydroxy-3',5-dimethoxy-2'-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoic acid
Other name (3)：
  • 5,5′-Dimethoxy-6-(β-D-glucopyranosyloxy)-6′-hydroxybiphenyl-3,3′-bispropionic acid
  • ジコトモシドA
  • Dichotomoside A
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