Chem
J-GLOBAL ID：200907059353505020   Nikkaji number：J10.825A

Patrinoside

パトリノシド
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： C21H34O11
Molecular formula furigana： C21-H34-O11
Molecular weight： 462.492
InChI： InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1
InChI key： BGDMXWQJUGENQP-QPCLWJSESA-N
SMILES： CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12
Systematic name  (3)：
  • [(1S)-1,4aα,5,6,7,7aα-ヘキサヒドロ-6α-ヒドロキシ-7α-(ヒドロキシメチル)-1-(3-メチル-1-オキソブトキシ)シクロペンタ[c]ピラン-4-イル]メチルβ-D-グルコピラノシド
  • (1S,4aS,6S,7S,7aS)-6-ヒドロキシ-7-(ヒドロキシメチル)-4-({[(2R,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}メチル)-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-1-イル 3-メチルブタノアート
  • (1S,4aS,6S,7S,7aS)-6-hydroxy-7-(hydroxymethyl)-4-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate
Other name (3)：
  • パトリノシド
  • Patrinoside
  • [(1S)-1,4aα,5,6,7,7aα-Hexahydro-6α-hydroxy-7α-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside
CAS registry number： 53962-20-2
Regulation number (1)：
  • LZ5901000
KEGG COMPOUND： C11640
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