Chem
J-GLOBAL ID：200907007682083772   Nikkaji number：J2.080.022D

(1S)-1-[(1E,3ξ)-3-Hydroxy-4-(β-D-glucopyranosyloxy)-1-butenyl]-2,2,6β-trimethylcyclohexane-1β,4β-diol

(1S)-1-[(1E,3ξ)-3-ヒドロキシ-4-(β-D-グルコピラノシルオキシ)-1-ブテニル]-2,2,6β-トリメチルシクロヘキサン-1β,4β-ジオール
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： C19H34O9
Molecular formula furigana： C19-H34-O9
Molecular weight： 406.472
InChI： InChI=1S/C19H34O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-5,10-17,20-26H,6-9H2,1-3H3/b5-4+/t10-,11?,12+,13-,14-,15+,16-,17-,19-/m1/s1
InChI key： YIAQIGPDWXVEJQ-WKTLMOSLSA-N
SMILES： C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/C(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (1S)-1-[(1E,3ξ)-3-ヒドロキシ-4-(β-D-グルコピラノシルオキシ)-1-ブテニル]-2,2,6β-トリメチルシクロヘキサン-1β,4β-ジオール
  • (2R,3R,4S,5S,6R)-2-{[(3E)-4-[(1S,4S,6R)-1,4-ジヒドロキシ-2,2,6-トリメチルシクロヘキシル]-2-ヒドロキシブタ-3-エン-1-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(3E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-2-hydroxybut-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • (1S)-1-[(1E,3ξ)-3-Hydroxy-4-(β-D-glucopyranosyloxy)-1-butenyl]-2,2,6β-trimethylcyclohexane-1β,4β-diol
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