Chem
J-GLOBAL ID：200907005629644549   Nikkaji number：J2.486.982B

Sedumoside I

セズモシドI
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(2,3)13(10)5-4-11(21)9-26-18-17(25)16(24)15(23)14(8-20)27-18/h10,13-18,20,23-25H,4-9H2,1-3H3/t10-,13+,14-,15-,16+,17-,18-/m1/s1
InChI key： KPGCDIROZLAZIZ-IRDDYGQGSA-N
SMILES： C[C@@H]1CC(=O)CC(C)(C)[C@H]1CCC(=O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (4S)-3,3,5α-トリメチル-4β-[3-オキソ-4-(β-D-グルコピラノシルオキシ)ブチル]シクロヘキサノン
  • (4S,5R)-3,3,5-トリメチル-4-(3-オキソ-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}ブチル)シクロヘキサン-1-オン
  • (4S,5R)-3,3,5-trimethyl-4-(3-oxo-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)cyclohexan-1-one
Other name (3)：
  • (4S)-3,3,5α-Trimethyl-4β-[3-oxo-4-(β-D-glucopyranosyloxy)butyl]cyclohexanone
  • セズモシドI
  • Sedumoside I
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