Chem
J-GLOBAL ID:200907095365902403
Nikkaji number:J2.582.434B
Proacacipetalin
プロアカシペタリン
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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:
C11 H17 NO6
Molecular formula furigana:
C11-H17-N-O6
Molecular weight:
259.257
InChI:
InChI=1S/C11H17NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,1,4H2,2H3/t6-,7-,8-,9+,10-,11-/m1/s1
InChI key:
KVHIMSJVFJPBKJ-MPVQUNCYSA-N
SMILES:
CC(=C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
Systematic name (3):
(S)-2-(β-D-グルコピラノシルオキシ)3-メチル-3-ブテンニトリル
(2S)-3-メチル-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}ブタ-3-エンニトリル
(2S)-3-methyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-3-enenitrile
Other name (3):
(S)-2-(β-D-Glucopyranosyloxy)3-methyl-3-butenenitrile
プロアカシペタリン
Proacacipetalin
CAS registry number:
66871-89-4
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