Chem
J-GLOBAL ID：200907023066300668   Nikkaji number：J1.867.304E

(4R)-3-(Hydroxymethyl)-4α-[(S)-3-hydroxybutyl]-5,5-dimethyl-2-cyclohexene-1-one

(4R)-3-(ヒドロキシメチル)-4α-[(S)-3-ヒドロキシブチル]-5,5-ジメチル-2-シクロヘキセン-1-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： C13H22O3
Molecular formula furigana： C13-H22-O3
Molecular weight： 226.316
InChI： InChI=1S/C13H22O3/c1-9(15)4-5-12-10(8-14)6-11(16)7-13(12,2)3/h6,9,12,14-15H,4-5,7-8H2,1-3H3/t9-,12-/m0/s1
InChI key： PMZLVPRNQIJIRV-CABZTGNLSA-N
SMILES： C[C@H](O)CC[C@H]1C(=CC(=O)CC1(C)C)CO
Systematic name  (4)：
  • (4R)-3-(ヒドロキシメチル)-4α-[(3S)-3-ヒドロキシブチル]-5,5-ジメチル-2-シクロヘキセン-1-オン
  • (4R)-3-(ヒドロキシメチル)-4α-[(S)-3-ヒドロキシブチル]-5,5-ジメチル-2-シクロヘキセン-1-オン
  • (4R)-4-[(3S)-3-ヒドロキシブチル]-3-(ヒドロキシメチル)-5,5-ジメチルシクロヘキサ-2-エン-1-オン
  • (4R)-4-[(3S)-3-hydroxybutyl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one
Other name (2)：
  • (4R)-3-(Hydroxymethyl)-4α-[(3S)-3-hydroxybutyl]-5,5-dimethyl-2-cyclohexene-1-one
  • (4R)-3-(Hydroxymethyl)-4α-[(S)-3-hydroxybutyl]-5,5-dimethyl-2-cyclohexene-1-one
Thsaurus map：
Thesaurus Map

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