Chem
J-GLOBAL ID：200907090990484642   Nikkaji number：J2.486.979B

Sedumoside A5

セズモシドA5
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： C25H46O13
Molecular formula furigana： C25-H46-O13
Molecular weight： 554.630
InChI： InChI=1S/C25H46O13/c1-11-6-13(36-24-22(34)20(32)18(30)16(10-28)38-24)7-25(2,3)14(11)5-4-12(8-26)35-23-21(33)19(31)17(29)15(9-27)37-23/h11-24,26-34H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1
InChI key： LSNZLSXCUOMLFW-UMARSYFPSA-N
SMILES： C[C@@H]1C[C@@H](CC(C)(C)[C@H]1CC[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 1-O-[(1S)-3,3,5α-トリメチル-4β-[(S)-3-(β-D-グルコピラノシルオキシ)-4-ヒドロキシブチル]シクロヘキサン-1α-イル]-β-D-グルコピラノース
  • (2R,3R,4S,5S,6R)-2-{[(2S)-1-ヒドロキシ-4-[(1S,4S,6R)-2,2,6-トリメチル-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}シクロヘキシル]ブタン-2-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
  • (2R,3R,4S,5S,6R)-2-{[(2S)-1-hydroxy-4-[(1S,4S,6R)-2,2,6-trimethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl]butan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • 1-O-[(1S)-3,3,5α-Trimethyl-4β-[(S)-3-(β-D-glucopyranosyloxy)-4-hydroxybutyl]cyclohexane-1α-yl]-β-D-glucopyranose
  • セズモシドA5
  • Sedumoside A5
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