Chem
J-GLOBAL ID:200907025705804764   Nikkaji number:J723.493G

2α,4-Bis(3-methylbutyl)-4α,5-dihydroxy-6-isovaleryl-5-cyclohexene-1,3-dione

2α,4-ビス(3-メチルブチル)-4α,5-ジヒドロキシ-6-イソバレリル-5-シクロヘキセン-1,3-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: C21H34O5
Molecular formula furigana: C21-H34-O5
Molecular weight: 366.498
InChI: InChI=1S/C21H34O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h12-15,25-26H,7-11H2,1-6H3/t15-,21-/m0/s1
InChI key: MJYMMHBVSPBDME-BTYIYWSLSA-N
SMILES: CC(C)CC[C@H]1C(=O)C(=C(O)[C@](O)(CCC(C)C)C1=O)C(=O)CC(C)C
Systematic name  (3):
  • 2α,4-ビス(3-メチルブチル)-4α,5-ジヒドロキシ-6-イソバレリル-5-シクロヘキセン-1,3-ジオン
  • (2S,6R)-5,6-ジヒドロキシ-4-(3-メチルブタノイル)-2,6-ビス(3-メチルブチル)シクロヘキサ-4-エン-1,3-ジオン
  • (2S,6R)-5,6-dihydroxy-4-(3-methylbutanoyl)-2,6-bis(3-methylbutyl)cyclohex-4-ene-1,3-dione
Other name (1):
  • 2α,4-Bis(3-methylbutyl)-4α,5-dihydroxy-6-isovaleryl-5-cyclohexene-1,3-dione
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