Chem
J-GLOBAL ID：200907025852265534   Nikkaji number：J1.704.490G

Icariside B4

イカリシドB4
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： C19H32O8
Molecular formula furigana： C19-H32-O8
Molecular weight： 388.457
InChI： InChI=1S/C19H32O8/c1-10-6-12(22)7-19(3,13(10)5-4-11(2)21)9-26-18-17(25)16(24)15(23)14(8-20)27-18/h12,14-18,20,22-25H,4-9H2,1-3H3/t12-,14-,15-,16+,17-,18-,19-/m1/s1
InChI key： SWFDKSOVEDLYKS-OOXNMXKUSA-N
SMILES： CC(=O)CCC1=C(C)C[C@@H](O)C[C@]1(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 4-[(4R)-2,6β-ジメチル-4β-ヒドロキシ-6-(β-D-グルコピラノシルオキシメチル)-1-シクロヘキセニル]-2-ブタノン
  • 4-[(4R,6S)-4-ヒドロキシ-2,6-ジメチル-6-({[(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)シクロヘキサ-1-エン-1-イル]ブタン-2-オン
  • 4-[(4R,6S)-4-hydroxy-2,6-dimethyl-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-1-en-1-yl]butan-2-one
Other name (3)：
  • 4-[(4R)-2,6β-Dimethyl-4β-hydroxy-6-(β-D-glucopyranosyloxymethyl)-1-cyclohexenyl]-2-butanone
  • イカリシドB4
  • Icariside B4
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