Chem
J-GLOBAL ID：200907024739372735   Nikkaji number：J2.486.980F

Sedumoside A6

セズモシドA6
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： C24H44O12
Molecular formula furigana： C24-H44-O12
Molecular weight： 524.604
InChI： InChI=1S/C24H44O12/c1-11-6-13(35-23-21(32)19(30)18(29)16(9-26)36-23)7-24(2,3)14(11)5-4-12(8-25)34-22-20(31)17(28)15(27)10-33-22/h11-23,25-32H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1
InChI key： GWLFSUPWPHIRQN-BVLYIWBFSA-N
SMILES： C[C@@H]1C[C@@H](CC(C)(C)[C@H]1CC[C@@H](CO)O[C@@H]1OC[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-キシロピラノシルオキシ)-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-{[(1S,4S,5R)-4-[(3S)-4-ヒドロキシ-3-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}ブチル]-3,3,5-トリメチルシクロヘキシル]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-{[(1S,4S,5R)-4-[(3S)-4-hydroxy-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}butyl]-3,3,5-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • 1-O-[(1S)-3,3,5α-Trimethyl-4β-[(S)-3-(β-D-xylopyranosyloxy)-4-hydroxybutyl]cyclohexane-1α-yl]-β-D-glucopyranose
  • セズモシドA6
  • Sedumoside A6
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