Chem
J-GLOBAL ID：200907089564320308   Nikkaji number：J1.867.307J

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

(4R)-3-(ヒドロキシメチル)-4α-[(1E,3S)-3-ヒドロキシ-1-ブテニル]-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： C13H20O3
Molecular formula furigana： C13-H20-O3
Molecular weight： 224.300
InChI： InChI=1S/C13H20O3/c1-9(15)4-5-12-10(8-14)6-11(16)7-13(12,2)3/h4-6,9,12,14-15H,7-8H2,1-3H3/b5-4+/t9-,12-/m0/s1
InChI key： NSPUEQDFCJBNBF-KJGQMEDRSA-N
SMILES： C[C@H](O)/C=C/[C@H]1C(=CC(=O)CC1(C)C)CO
Systematic name  (3)：
  • (4R)-3-(ヒドロキシメチル)-4α-[(1E,3S)-3-ヒドロキシ-1-ブテニル]-5,5-ジメチル-2-シクロヘキセン-1-オン
  • (4R)-4-[(1E,3S)-3-ヒドロキシブタ-1-エン-1-イル]-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-[(1E,3S)-3-hydroxybut-1-en-1-yl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one
Other name (1)：
  • (4R)-3-(Hydroxymethyl)-4α-[(1E,3S)-3-hydroxy-1-butenyl]-5,5-dimethyl-2-cyclohexene-1-one
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