Chem
J-GLOBAL ID：200907027219951472   Nikkaji number：J2.607.476B

5β,5′β-Dihydroxy-6α,6′α-diethyl-1β,1′β-bi[3-cyclohexene]-2,2′-dione

5β,5′β-ジヒドロキシ-6α,6′α-ジエチル-1β,1′β-ビ[3-シクロヘキセン]-2,2′-ジオン
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： C16H22O4
Molecular formula furigana： C16-H22-O4
Molecular weight： 278.348
InChI： InChI=1S/C16H22O4/c1-3-9-11(17)5-7-13(19)15(9)16-10(4-2)12(18)6-8-14(16)20/h5-12,15-18H,3-4H2,1-2H3/t9-,10-,11+,12+,15+,16+/m0/s1
InChI key： DGXJBGWTBFDOIH-PHEULEMZSA-N
SMILES： CC[C@H]1[C@H](O)C=CC(=O)[C@@H]1[C@@H]1[C@@H](CC)[C@H](O)C=CC1=O
Systematic name  (3)：
  • 5β,5′β-ジヒドロキシ-6α,6′α-ジエチル-1β,1′β-ビ[3-シクロヘキセン]-2,2′-ジオン
  • (1S,1'S,5R,5'R,6R,6'R)-6,6'-ジエチル-5,5'-ジヒドロキシ-[1,1'-ビ(シクロヘキサン)]-3,3'-ジエン-2,2'-ジオン
  • (1S,1'S,5R,5'R,6R,6'R)-6,6'-diethyl-5,5'-dihydroxy-[1,1'-bi(cyclohexane)]-3,3'-diene-2,2'-dione
Other name (1)：
  • 5β,5′β-Dihydroxy-6α,6′α-diethyl-1β,1′β-bi[3-cyclohexene]-2,2′-dione
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