Chem
J-GLOBAL ID：200907025562055030   Nikkaji number：J2.486.978D

Sedumoside A4

セズモシドA4
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： C18H34O7
Molecular formula furigana： C18-H34-O7
Molecular weight： 362.463
InChI： InChI=1S/C18H34O7/c1-10-6-11(20)7-18(2,3)13(10)5-4-12(8-19)25-17-16(23)15(22)14(21)9-24-17/h10-17,19-23H,4-9H2,1-3H3/t10-,11+,12+,13+,14-,15+,16-,17+/m1/s1
InChI key： FSMSNKQMSSKYBN-IKQPXOLHSA-N
SMILES： C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (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-オール
  • (2S,3R,4S,5R)-2-{[(2S)-1-ヒドロキシ-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
  • (2S,3R,4S,5R)-2-{[(2S)-1-hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxy}oxane-3,4,5-triol
Other name (3)：
  • (1S)-3,3,5α-Trimethyl-4β-[(S)-3-(β-D-xylopyranosyloxy)-4-hydroxybutyl]cyclohexane-1α-ol
  • セズモシドA4
  • Sedumoside A4
Thsaurus map：
Thesaurus Map

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