Chem
J-GLOBAL ID：200907062906222235   Nikkaji number：J247.978H

Morroniside

モロニシド
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： C17H26O11
Molecular formula furigana： C17-H26-O11
Molecular weight： 406.384
InChI： InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7?,9-,10?,11?,12-,13+,14-,16?,17+/m1/s1
InChI key： YTZSBJLNMIQROD-HVOIIHJLSA-N
SMILES： COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C(C)OC(O)CC12
Systematic name  (3)：
  • 8-(β-D-グルコピラノシルオキシ)-4,4a,8,8a-テトラヒドロ-3-ヒドロキシ-1-メチル-1H,3H-ピラノ[3,4-c]ピラン-5-カルボン酸メチル
  • メチル 6-ヒドロキシ-8-メチル-1-{[(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}-1H,4aH,5H,6H,8H,8aH-ピラノ[3,4-c]ピラン-4-カルボキシラート
  • methyl 6-hydroxy-8-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylate
Other name (4)：
  • モロニシド
  • Morronisid
  • Morroniside
  • 8-(β-D-Glucopyranosyloxy)-4,4a,8,8a-tetrahydro-3-hydroxy-1-methyl-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid methyl ester
CAS registry number： 25406-64-8
KEGG COMPOUND： C17000
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