Chem
J-GLOBAL ID：200907067367590260
Nikkaji number：J1.867.301K
(4S)-3-(Hydroxymethyl)-4α-[(1E,3S)-3-hydroxy-1-butenyl]-4-hydroxy-5,5-dimethyl-2-cyclohexene-1-one
(4S)-3-(ヒドロキシメチル)-4α-[(1E,3S)-3-ヒドロキシ-1-ブテニル]-4-ヒドロキシ-5,5-ジメチル-2-シクロヘキセン-1-オン
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
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
Molecular formula： C13H20O4
Molecular formula furigana： C13-H20-O4
Molecular weight： 240.299
InChI：
InChI=1S/C13H20O4/c1-9(15)4-5-13(17)10(8-14)6-11(16)7-12(13,2)3/h4-6,9,14-15,17H,7-8H2,1-3H3/b5-4+/t9-,13+/m0/s1
InChI key：
UGAGXSNJVTWRDT-WXPRWSNTSA-N
SMILES：
C[C@H](O)/C=C/[C@@]1(O)C(=CC(=O)CC1(C)C)CO
Systematic name (3)：
- (4S)-3-(ヒドロキシメチル)-4α-[(1E,3S)-3-ヒドロキシ-1-ブテニル]-4-ヒドロキシ-5,5-ジメチル-2-シクロヘキセン-1-オン
- (4S)-4-ヒドロキシ-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
- (4S)-4-hydroxy-4-[(1E,3S)-3-hydroxybut-1-en-1-yl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one
- (4S)-3-(Hydroxymethyl)-4α-[(1E,3S)-3-hydroxy-1-butenyl]-4-hydroxy-5,5-dimethyl-2-cyclohexene-1-one
Return to Previous Page
