Chem
J-GLOBAL ID：201207002044403500   Nikkaji number：J3.060.258G

2-O-(α-D-Glucopyranosyl)-5-O-(2-pentylheptanoyl)-L-ascorbic acid

2-O-(α-D-グルコピラノシル)-5-O-(2-ペンチルヘプタノイル)-L-アスコルビン酸
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： C24H40O12
Molecular formula furigana： C24-H40-O12
Molecular weight： 520.572
InChI： InChI=1S/C24H40O12/c1-3-5-7-9-13(10-8-6-4-2)22(31)33-15(12-26)20-19(30)21(23(32)35-20)36-24-18(29)17(28)16(27)14(11-25)34-24/h13-18,20,24-30H,3-12H2,1-2H3/t14-,15+,16-,17+,18-,20-,24-/m1/s1
InChI key： IMPFCNGNAIYYAR-LJKJHLACSA-N
SMILES： CCCCCC(CCCCC)C(=O)O[C@@H](CO)[C@H]1OC(=O)C(=C1O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-O-(α-D-グルコピラノシル)-5-O-(2-ペンチルヘプタノイル)-L-アスコルビン酸
  • (1S)-2-ヒドロキシ-1-[(2R)-3-ヒドロキシ-5-オキソ-4-{[(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}-2,5-ジヒドロフラン-2-イル]エチル 2-ペンチルヘプタノアート
  • (1S)-2-hydroxy-1-[(2R)-3-hydroxy-5-oxo-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,5-dihydrofuran-2-yl]ethyl 2-pentylheptanoate
Other name (1)：
  • 2-O-(α-D-Glucopyranosyl)-5-O-(2-pentylheptanoyl)-L-ascorbic acid
Thsaurus map：
Thesaurus Map

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