Chem
J-GLOBAL ID:200907055560651790
Nikkaji number:J412.305K
Linustatin
リヌスタチン
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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:
C16 H27 NO11
Molecular formula furigana:
C16-H27-N-O11
Molecular weight:
409.388
InChI:
InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1
InChI key:
FERSMFQBWVBKQK-CXTTVELOSA-N
SMILES:
CC(C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N
Systematic name (4):
2-(6-O-β-D-グルコピラノシル-β-D-グルコピラノシルオキシ)-2-メチルプロパンニトリル
2-[6-O-(β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-2-メチルプロパンニトリル
2-メチル-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(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}メチル)オキサン-2-イル]オキシ}プロパンニトリル
2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propanenitrile
Other name (4):
リヌスタチン
Linustatin
2-(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)-2-methylpropanenitrile
2-[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyloxy]-2-methylpropanenitrile
CAS registry number:
72229-40-4
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