Chem
J-GLOBAL ID：200907075570405080   Nikkaji number：J10.265B

Leonuride

レオヌリド
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： C15H24O9
Molecular formula furigana： C15-H24-O9
Molecular weight： 348.348
InChI： InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6?,7?,8-,9?,10-,11+,12-,13?,14+,15?/m1/s1
InChI key： VELYAQRXBJLJAK-MJSCJBMMSA-N
SMILES： CC1(O)CC(O)C2C=COC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12
Systematic name  (3)：
  • 1,4a,5,6,7,7a-ヘキサヒドロ-5,7-ジヒドロキシ-7-メチルシクロペンタ[c]ピラン-1-イルβ-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-({5,7-ジヒドロキシ-7-メチル-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-1-イル}オキシ)-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-({5,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • レオヌリド
  • Leonuride
  • 1,4a,5,6,7,7a-Hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl β-D-glucopyranoside
CAS registry number： 50906-66-6
KEGG COMPOUND： C17011
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