Chem
J-GLOBAL ID：200907078186527681   Nikkaji number：J2.306.516I

Kankanoside A

カンカノシドA
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： C16H26O8
Molecular formula furigana： C16-H26-O8
Molecular weight： 346.376
InChI： InChI=1S/C16H26O8/c1-7-6-22-14(10-8(7)3-4-16(10,2)21)24-15-13(20)12(19)11(18)9(5-17)23-15/h6,8-15,17-21H,3-5H2,1-2H3/t8-,9-,10-,11-,12+,13-,14+,15+,16+/m1/s1
InChI key： NAYYMQIWUJKQDJ-PSWNKMJPSA-N
SMILES： CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O
Systematic name  (3)：
  • (1S)-1α-(β-D-グルコピラノシルオキシ)-4,7-ジメチル-1,4aα,5,6,7,7aα-ヘキサヒドロシクロペンタ[c]ピラン-7α-オール
  • (2S,3R,4S,5S,6R)-2-{[(1S,4aS,7S,7aS)-7-ヒドロキシ-4,7-ジメチル-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-{[(1S,4aS,7S,7aS)-7-hydroxy-4,7-dimethyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (1S)-1α-(β-D-Glucopyranosyloxy)-4,7-dimethyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-7α-ol
  • カンカノシドA
  • Kankanoside A
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