Chem
J-GLOBAL ID:200907068948205282
Nikkaji number:J1.400.043G
4-O-(6-O-Caproyl-α-D-glucopyranosyl)-D-glucopyranose
4-O-(6-O-カプロイル-α-D-グルコピラノシル)-D-グルコピラノース
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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:
C18 H32 O12
Molecular formula furigana:
C18-H32-O12
Molecular weight:
440.442
InChI:
InChI=1S/C18H32O12/c1-2-3-4-5-10(20)27-7-9-11(21)12(22)15(25)18(29-9)30-16-8(6-19)28-17(26)14(24)13(16)23/h8-9,11-19,21-26H,2-7H2,1H3/t8-,9-,11-,12+,13-,14-,15-,16-,17?,18-/m1/s1
InChI key:
AYGROZZNGFZBQL-APOPIONFSA-N
SMILES:
CCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3):
4-O-(6-O-カプロイル-α-D-グルコピラノシル)-D-グルコピラノース
[(2R,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-{[(2R,3S,4R,5R)-4,5,6-トリヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}オキサン-2-イル]メチル ヘキサノアート
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methyl hexanoate
Other name (1):
4-O-(6-O-Caproyl-α-D-glucopyranosyl)-D-glucopyranose
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