Chem
J-GLOBAL ID：200907094786842918   Nikkaji number：J1.489.309A

3,5,5-Trimethyl-4-(3-hydroxy-1-butenyl)-3-cyclohexenyl β-D-glucopyranoside

3,5,5-トリメチル-4-(3-ヒドロキシ-1-ブテニル)-3-シクロヘキセニルβ-D-グルコピラノシド
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： C19H32O7
Molecular formula furigana： C19-H32-O7
Molecular weight： 372.458
InChI： InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,11-12,14-18,20-24H,7-9H2,1-4H3/t11?,12?,14-,15-,16+,17-,18-/m1/s1
InChI key： QCWVLOHTLDDUEL-KWEBYEANSA-N
SMILES： CC(O)C=CC1=C(C)CC(CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 3,5,5-トリメチル-4-(3-ヒドロキシ-1-ブテニル)-3-シクロヘキセニルβ-D-グルコピラノシド
  • 4-[3-ヒドロキシ-1-ブテニル]-3,5,5-トリメチル-1-(β-D-グルコピラノシルオキシ)-3-シクロヘキセン
  • (2R,3R,4S,5S,6R)-2-{[4-(3-ヒドロキシブタ-1-エン-1-イル)-3,5,5-トリメチルシクロヘキサ-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-{[4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (2)：
  • 3,5,5-Trimethyl-4-(3-hydroxy-1-butenyl)-3-cyclohexenyl β-D-glucopyranoside
  • 4-[3-Hydroxy-1-butenyl]-3,5,5-trimethyl-1-(β-D-glucopyranosyloxy)-3-cyclohexene
Thsaurus map：
Thesaurus Map

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