Chem
J-GLOBAL ID：200907088176805999   Nikkaji number：J1.816.068D

5-Hydroxydianellin

5-ヒドロキシジアネリン
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： C26H34O12
Molecular formula furigana： C26-H34-O12
Molecular weight： 538.546
InChI： InChI=1S/C26H34O12/c1-9-5-6-14(17-13(9)7-10(2)16(11(3)27)20(17)30)37-26-24(34)22(32)19(29)15(38-26)8-35-25-23(33)21(31)18(28)12(4)36-25/h5-7,12,15,18-19,21-26,28-34H,8H2,1-4H3/t12-,15+,18-,19+,21+,22-,23+,24+,25+,26+/m0/s1
InChI key： XEOCDMLNLYKZOM-BLHDARAHSA-N
SMILES： C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(C)c4cc(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-3,5-ジメチル-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-3,5-ジメチル-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-3,5-dimethyl-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-3,5-dimethyl-8-[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]naphthalene-1-ol
  • 5-ヒドロキシジアネリン
  • 5-Hydroxydianellin
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