Chem
J-GLOBAL ID：200907069715491540   Nikkaji number：J16.654E

Alternaric acid

アルテルナル酸
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： C21H30O8
Molecular formula furigana： C21-H30-O8
Molecular weight： 410.463
InChI： InChI=1S/C21H30O8/c1-5-13(3)18(24)21(28,20(26)27)10-6-7-12(2)8-9-15(22)17-16(23)11-14(4)29-19(17)25/h6,10,13-14,17-18,24,28H,2,5,7-9,11H2,1,3-4H3,(H,26,27)/b10-6+/t13-,14+,17?,18+,21-/m0/s1
InChI key： OFVHHCDOMZQVQV-ZICDYRIUSA-N
SMILES： CC[C@H](C)[C@@H](O)[C@@](O)(/C=C/CC(=C)CCC(=O)C1C(=O)C[C@@H](C)OC1=O)C(=O)O
Systematic name  (3)：
  • (2S,3E)-2-ヒドロキシ-2-[(1R,2S)-1-ヒドロキシ-2-メチルブチル]-6-メチレン-9-オキソ-9-[[(6R)-テトラヒドロ-6-メチル-2,4-ジオキソ-2H-ピラン]-3-イル]-3-ノネン酸
  • (2S,3E)-2-ヒドロキシ-2-[(1R,2S)-1-ヒドロキシ-2-メチルブチル]-9-[(6R)-6-メチル-2,4-ジオキソオキサン-3-イル]-6-メチリデン-9-オキソノナ-3-エン酸
  • (2S,3E)-2-hydroxy-2-[(1R,2S)-1-hydroxy-2-methylbutyl]-9-[(6R)-6-methyl-2,4-dioxooxan-3-yl]-6-methylidene-9-oxonon-3-enoic acid
Other name (3)：
  • アルテルナル酸
  • Alternaric acid
  • 2-Hydroxy-2-(1-hydroxy-2-methylbutyl)-6-methylene-9-oxo-9-(tetrahydro-6-methyl-2,4-dioxo-2H-pyran-3-yl)-3-nonenoic acid
CAS registry number： 10088-62-7
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