Chem
J-GLOBAL ID:200907032511020408
Nikkaji number:J679.087I
Hinokitiol glucoside
ヒノキチオールグルコシド
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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:
C16 H22 O7
Molecular formula furigana:
C16-H22-O7
Molecular weight:
326.345
InChI:
InChI=1S/C16H22O7/c1-8(2)9-4-3-5-10(18)11(6-9)22-16-15(21)14(20)13(19)12(7-17)23-16/h3-6,8,12-17,19-21H,7H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1
InChI key:
IBEQWTPAYJQNDR-IBEHDNSVSA-N
SMILES:
CC(C)c1cccc(=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Systematic name (6):
2-(β-D-グルコピラノシルオキシ)-4-イソプロピル-2,4,6-シクロヘプタトリエン-1-オン
3-イソプロピル-7-オキソ-1,3,5-シクロヘプタントリエン-1-イルβ-D-グルコピラノシド
3-イソプロピル-7-オキソ-1,3,5-シクロヘプタトリエニルβ-D-グルコピラノシド
1-オキソ-4-イソプロピル-2,4,6-シクロヘプタトリエン-2-イルβ-D-グルコピラノシド
4-(プロパン-2-イル)-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}シクロヘプタ-2,4,6-トリエン-1-オン
4-(propan-2-yl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohepta-2,4,6-trien-1-one
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Other name (11):
ヒノキチオールグルコシドII
Hinokitiol glucoside II
3-Isopropyl-7-oxo-1,3,5-cycloheptanetrien-1-yl β-D-glucopyranoside
β-ツジャプリシン2-グルコピラノシド
β-Thujaplicin 2-glucoside
3-Isopropyl-7-oxo-1,3,5-cycloheptatrienyl β-D-glucopyranoside
1-Oxo-4-isopropyl-2,4,6-cycloheptatriene-2-yl β-D-glucopyranoside
Hinokitiol glucoside
ヒノキチオールグルコシド
β-Thujaplicin 2-O-β-D-glucoside
β-ツジャプリシン2-O-β-D-グルコシド
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