Chem
J-GLOBAL ID:200907029822415855   Nikkaji number:J2.080.020H

(1R)-1-[(1E,3ξ)-3-(β-D-Glucopyranosyloxy)-4-hydroxy-1-butenyl]-2,2,6α-trimethylcyclohexane-1α,4α-diol

(1R)-1-[(1E,3ξ)-3-(β-D-グルコピラノシルオキシ)-4-ヒドロキシ-1-ブテニル]-2,2,6α-トリメチルシクロヘキサン-1α,4α-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/c1-10-6-11(22)7-18(2,3)19(10,26)5-4-12(8-20)27-17-16(25)15(24)14(23)13(9-21)28-17/h4-5,10-17,20-26H,6-9H2,1-3H3/b5-4+/t10-,11+,12?,13+,14+,15-,16+,17+,19-/m0/s1
InChI key: MOCRJZJERZYGCF-HRCRRTNWSA-N
SMILES: C[C@H]1C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/C(CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • (1R)-1-[(1E,3ξ)-3-(β-D-グルコピラノシルオキシ)-4-ヒドロキシ-1-ブテニル]-2,2,6α-トリメチルシクロヘキサン-1α,4α-ジオール
  • (2R,3R,4S,5S,6R)-2-{[(3E)-4-[(1R,4R,6S)-1,4-ジヒドロキシ-2,2,6-トリメチルシクロヘキシル]-1-ヒドロキシブタ-3-エン-2-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-[(1R,4R,6S)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-1-hydroxybut-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
  • (1R)-1-[(1E,3ξ)-3-(β-D-Glucopyranosyloxy)-4-hydroxy-1-butenyl]-2,2,6α-trimethylcyclohexane-1α,4α-diol
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