Chem
J-GLOBAL ID：200907012046953809   Nikkaji number：J20.545A

Todomatuic acid

トドマツ酸
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： C15H24O3
Molecular formula furigana： C15-H24-O3
Molecular weight： 252.354
InChI： InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18)/t11-,12+/m1/s1
InChI key： XPXCWUPURKUWHC-NEPJUHHUSA-N
SMILES： CC(C)CC(=O)C[C@@H](C)[C@@H]1CCC(=CC1)C(=O)O
Systematic name  (4)：
  • [R,(+)]-4-[(R)-1,5-ジメチル-3-オキソヘキシル]-1-シクロヘキセン-1-カルボン酸
  • 4α-[(R)-1,5-ジメチル-3-オキソヘキシル]-1-シクロヘキセン-1-カルボン酸
  • (4R)-4-[(2R)-6-メチル-4-オキソヘプタン-2-イル]シクロヘキサ-1-エン-1-カルボン酸
  • (4R)-4-[(2R)-6-methyl-4-oxoheptan-2-yl]cyclohex-1-ene-1-carboxylic acid
Other name (6)：
  • (+)-トドマツ酸
  • (+)-Todomatuic acid
  • [R,(+)]-4-[(R)-1,5-Dimethyl-3-oxohexyl]-1-cyclohexene-1-carboxylic acid
  • 4α-[(R)-1,5-Dimethyl-3-oxohexyl]-1-cyclohexene-1-carboxylic acid
  • トドマツ酸
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CAS registry number： 6753-22-6
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