Chem
J-GLOBAL ID：200907001650653684   Nikkaji number：J866.583D

Eucalyptone

オイカリプトン
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： C28H38O7
Molecular formula furigana： C28-H38-O7
Molecular weight： 486.605
InChI： InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19?,22-,23-,28-/m1/s1
InChI key： KGPNGYABEKLGJP-YGRDELDPSA-N
SMILES： CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CCC(=O)[C@@H]1[C@H]1[C@@H](CCC(=O)C)C1(C)C
Systematic name  (4)：
  • 2,4,6-トリヒドロキシ-5-[1-[(1R)-1-メチル-2β-[(1R)-2,2-ジメチル-3α-(3-オキソブチル)シクロプロピル]-3-オキソシクロペンチル]-3-メチルブチル]イソフタルアルデヒド
  • 2,4,6-トリヒドロキシ-5-[1-[2β-[2,2-ジメチル-3α-(3-オキソブチル)シクロプロパン-1α-イル]-1-メチル-3-オキソシクロペンタン-1α-イル]-3-メチルブチル]イソフタルアルデヒド
  • 5-{1-[(1R,2R)-2-[(1R,3R)-2,2-ジメチル-3-(3-オキソブチル)シクロプロピル]-1-メチル-3-オキソシクロペンチル]-3-メチルブチル}-2,4,6-トリヒドロキシベンゼン-1,3-ジカルバルデヒド
  • 5-{1-[(1R,2R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl}-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Other name (4)：
  • オイカリプトン
  • Eucalyptone
  • 2,4,6-Trihydroxy-5-[1-[(1R)-1-methyl-2β-[(1R)-2,2-dimethyl-3α-(3-oxobutyl)cyclopropyl]-3-oxocyclopentyl]-3-methylbutyl]isophthalaldehyde
  • 2,4,6-Trihydroxy-5-[1-[2β-[2,2-dimethyl-3α-(3-oxobutyl)cyclopropane-1α-yl]-1-methyl-3-oxocyclopentane-1α-yl]-3-methylbutyl]isophthalaldehyde
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