Chem
J-GLOBAL ID：200907028992938660   Nikkaji number：J707.070E

Rehmaionoside B

レーマイオノシドB
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： C19H34O8
Molecular formula furigana： C19-H34-O8
Molecular weight： 390.473
InChI： InChI=1S/C19H34O8/c1-11(21)6-9-19(25)17(2,3)7-5-8-18(19,4)27-16-15(24)14(23)13(22)12(10-20)26-16/h6,9,11-16,20-25H,5,7-8,10H2,1-4H3/b9-6+/t11-,12-,13-,14+,15-,16+,18-,19-/m1/s1
InChI key： ICINSKFENWFTQI-BHYGOWNVSA-N
SMILES： C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • [(1R)-1,3,3-トリメチル-2α-ヒドロキシ-2-[(1E,3R)-3-ヒドロキシ-1-ブテニル]シクロヘキサン-1β-イル]β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(1R,2R)-2-ヒドロキシ-2-[(1E,3R)-3-ヒドロキシブタ-1-エン-1-イル]-1,3,3-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
  • (2S,3R,4S,5S,6R)-2-{[(1R,2R)-2-hydroxy-2-[(1E,3R)-3-hydroxybut-1-en-1-yl]-1,3,3-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • レーマイオノシドB
  • Rehmaionoside B
  • [(1R)-1,3,3-Trimethyl-2α-hydroxy-2-[(1E,3R)-3-hydroxy-1-butenyl]cyclohexan-1β-yl]β-D-glucopyranoside
CAS registry number： 104056-83-9
KEGG COMPOUND： C17451
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