Chem
J-GLOBAL ID:200907053050785838
Nikkaji number:J113.483C
Prunacin
プルナシン
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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 H17 NO6
Molecular formula furigana:
C14-H17-N-O6
Molecular weight:
295.291
InChI:
InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1
InChI key:
ZKSZEJFBGODIJW-GMDXDWKASA-N
SMILES:
OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (7):
[(R)-α-シアノベンジル]β-D-グルコピラノシド
(R)-α-(β-D-グルコピラノシルオキシ)ベンゼンアセトニトリル
[(αR)-α-シアノベンジル]β-D-グルコピラノシド
(αR)-α-(β-D-グルコピラノシルオキシ)-α-フェニルアセトニトリル
(2R)-2-(β-D-グルコピラノシルオキシ)-2-フェニルアセトニトリル
(2R)-2-フェニル-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}アセトニトリル
(2R)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
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Other name (7):
プルナシン
Prunacin
(R)-α-(β-D-Glucopyranosyloxy)benzeneacetonitrile
Prunasin
[(αR)-α-Cyanobenzyl]β-D-glucopyranoside
(αR)-α-(β-D-Glucopyranosyloxy)-α-phenylacetonitrile
(2R)-2-(β-D-Glucopyranosyloxy)-2-phenylacetonitrile
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CAS registry number:
99-18-3
Regulation number (2):
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