Chem
J-GLOBAL ID：200907014304301288   Nikkaji number：J2.431.920B

Sedumoside E3

セズモシドE3
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： C24H44O11
Molecular formula furigana： C24-H44-O11
Molecular weight： 508.605
InChI： InChI=1S/C24H44O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h12-22,25-31H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17-,18+,19-,20+,21-,22-,24-/m1/s1
InChI key： JQWTWUVKRGWZPZ-HXNBUUHISA-N
SMILES： C[C@H](CC[C@H]1[C@H](C)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • [(R)-1-メチル-3-[(1S)-2,2,6β-トリメチル-4β-ヒドロキシシクロヘキサン-1α-イル]プロピル]6-O-D-アピオ-β-D-フラノシル-β-D-グルコピラノシド
  • (2R,3S,4S,5R,6R)-2-({[(2R,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}メチル)-6-{[(2R)-4-[(1S,4S,6R)-4-ヒドロキシ-2,2,6-トリメチルシクロヘキシル]ブタン-2-イル]オキシ}オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6R)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxy}oxane-3,4,5-triol
Other name (3)：
  • [(R)-1-Methyl-3-[(1S)-2,2,6β-trimethyl-4β-hydroxycyclohexane-1α-yl]propyl]6-O-D-apio-β-D-furanosyl-β-D-glucopyranoside
  • セズモシドE3
  • Sedumoside E3
Thsaurus map：
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