Chem
J-GLOBAL ID：200907060784437461   Nikkaji number：J2.431.923G

Sedumoside G

セズモシドG
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： C25H44O11
Molecular formula furigana： C25-H44-O11
Molecular weight： 520.616
InChI： InChI=1S/C25H44O11/c1-11-8-14(9-25(4,5)15(11)7-6-12(2)26)35-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)34-23/h11,13-24,27-32H,6-10H2,1-5H3/t11-,13+,14+,15+,16-,17+,18-,19-,20+,21-,22-,23-,24-/m1/s1
InChI key： XKYNOSKPNRIVGQ-KZGPILJFSA-N
SMILES： C[C@@H]1C[C@@H](CC(C)(C)[C@H]1CCC(=O)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • [(1S)-3,3,5α-トリメチル-4β-(3-オキソブチル)シクロヘキサン-1α-イル]6-O-α-L-ラムノピラノシル-β-D-グルコピラノシド
  • 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-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}シクロヘキシル]ブタン-2-オン
  • 4-[(1S,4S,6R)-2,2,6-trimethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexyl]butan-2-one
Other name (3)：
  • [(1S)-3,3,5α-Trimethyl-4β-(3-oxobutyl)cyclohexane-1α-yl]6-O-α-L-rhamnopyranosyl-β-D-glucopyranoside
  • セズモシドG
  • Sedumoside G
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