Chem
J-GLOBAL ID：200907082257220423   Nikkaji number：J2.431.918K

Sedumoside E1

セズモシドE1
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： C25H46O11
Molecular formula furigana： C25-H46-O11
Molecular weight： 522.631
InChI： InChI=1S/C25H46O11/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/h11-24,26-32H,6-10H2,1-5H3/t11-,12-,13+,14+,15+,16-,17+,18-,19-,20+,21-,22-,23-,24-/m1/s1
InChI key： UHEPYXDXNSSNJB-GUZACNJRSA-N
SMILES： C[C@@H](O)CC[C@H]1[C@H](C)C[C@@H](CC1(C)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-[(R)-3-ヒドロキシブチル]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
  • (2R,3R,4S,5S,6R)-2-{[(1S,4S,5R)-4-[(3R)-3-ヒドロキシブチル]-3,3,5-トリメチルシクロヘキシル]オキシ}-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-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3,3,5-trimethylcyclohexyl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (3)：
  • [(1S)-3,3,5α-Trimethyl-4β-[(R)-3-hydroxybutyl]cyclohexane-1α-yl]6-O-α-L-rhamnopyranosyl-β-D-glucopyranoside
  • セズモシドE1
  • Sedumoside E1
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