Chem
J-GLOBAL ID：200907078971150652   Nikkaji number：J1.816.067F

Dianellin

ジアネリン
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： C25H32O12
Molecular formula furigana： C25-H32-O12
Molecular weight： 524.519
InChI： InChI=1S/C25H32O12/c1-9-7-12-5-4-6-13(16(12)19(29)15(9)10(2)26)36-25-23(33)21(31)18(28)14(37-25)8-34-24-22(32)20(30)17(27)11(3)35-24/h4-7,11,14,17-18,20-25,27-33H,8H2,1-3H3/t11-,14+,17-,18+,20+,21-,22+,23+,24+,25+/m0/s1
InChI key： QEDNXAHYDUCXTC-FSMASMOQSA-N
SMILES： C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cccc4cc(C)c(C(=O)C)c(O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-アセチル-3-メチル-8-[6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]ナフタレン-1-オール
  • 1-(1-ヒドロキシ-3-メチル-8-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}ナフタレン-2-イル)エタン-1-オン
  • 1-(1-hydroxy-3-methyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one
Other name (3)：
  • 2-Acetyl-3-methyl-8-[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]naphthalene-1-ol
  • ジアネリン
  • Dianellin
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