Chem
J-GLOBAL ID:200907032257025364
Nikkaji number:J655.153J
4α-Hydroxy-4-[2-(β-D-glucopyranosyloxy)ethyl]-2-cyclohexen-1-one
4α-ヒドロキシ-4-[2-(β-D-グルコピラノシルオキシ)エチル]-2-シクロヘキセン-1-オン
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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:
C14 H22 O8
Molecular formula furigana:
C14-H22-O8
Molecular weight:
318.322
InChI:
InChI=1S/C14H22O8/c15-7-9-10(17)11(18)12(19)13(22-9)21-6-5-14(20)3-1-8(16)2-4-14/h1,3,9-13,15,17-20H,2,4-7H2/t9-,10-,11+,12-,13-,14+/m1/s1
InChI key:
KNXZAJMTQUGTCB-WNWFYDSVSA-N
SMILES:
OC[C@H]1O[C@@H](OCC[C@@]2(O)CCC(=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (4):
(4S)-4-ヒドロキシ-4-[2-(β-D-グルコピラノシルオキシ)エチル]-2-シクロヘキセン-1-オン
4α-ヒドロキシ-4-[2-(β-D-グルコピラノシルオキシ)エチル]-2-シクロヘキセン-1-オン
(4S)-4-ヒドロキシ-4-(2-{[(2R,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}エチル)シクロヘキサ-2-エン-1-オン
(4S)-4-hydroxy-4-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohex-2-en-1-one
Other name (1):
4α-Hydroxy-4-[2-(β-D-glucopyranosyloxy)ethyl]-2-cyclohexen-1-one
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