Chem
J-GLOBAL ID：200907075447109069   Nikkaji number：J2.365.413J

3-[(3aα,4R)-1,5-Dioxo-7-hydroxy-7aβ-methylhydrindane-4α-yl]-3-hydroxypropionic acid

3-[(3aα,4R)-1,5-ジオキソ-7-ヒドロキシ-7aβ-メチルヒドリンダン-4α-イル]-3-ヒドロキシプロピオン酸
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： C13H18O6
Molecular formula furigana： C13-H18-O6
Molecular weight： 270.281
InChI： InChI=1S/C13H18O6/c1-13-6(2-3-9(13)16)12(7(14)4-10(13)17)8(15)5-11(18)19/h6,8,10,12,15,17H,2-5H2,1H3,(H,18,19)/t6-,8?,10?,12-,13-/m0/s1
InChI key： GGQIXMBZTAFYCU-UNIJPJQISA-N
SMILES： C[C@]12[C@@H](CCC1=O)[C@H](C(O)CC(=O)O)C(=O)CC2O
Systematic name  (3)：
  • 3-[(3aα,4R)-1,5-ジオキソ-7-ヒドロキシ-7aβ-メチルヒドリンダン-4α-イル]-3-ヒドロキシプロピオン酸
  • 3-[(3aS,4R,7aR)-7-ヒドロキシ-7a-メチル-1,5-ジオキソ-オクタヒドロ-1H-インデン-4-イル]-3-ヒドロキシプロパン酸
  • 3-[(3aS,4R,7aR)-7-hydroxy-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoic acid
Other name (1)：
  • 3-[(3aα,4R)-1,5-Dioxo-7-hydroxy-7aβ-methylhydrindane-4α-yl]-3-hydroxypropionic acid
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