Chem
J-GLOBAL ID：200907023907710009
Nikkaji number：J1.381.631J
(2E,4Z)-3-Methyl-4-acetoxy-6-[(1R)-1,2,2-trimethyl-4α-hydroxycyclopentane-1β-yl]-6-oxo-2,4-hexadienal
(2E,4Z)-3-メチル-4-アセトキシ-6-[(1R)-1,2,2-トリメチル-4α-ヒドロキシシクロペンタン-1β-イル]-6-オキソ-2,4-ヘキサジエナール
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： C17H24O5
Molecular formula furigana： C17-H24-O5
Molecular weight： 308.374
InChI：
InChI=1S/C17H24O5/c1-11(6-7-18)14(22-12(2)19)8-15(21)17(5)10-13(20)9-16(17,3)4/h6-8,13,20H,9-10H2,1-5H3/b11-6+,14-8-/t13-,17-/m0/s1
InChI key：
CZUUJPGZJLIXCN-XEBSVECASA-N
SMILES：
CC(=O)O/C(=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)/C(=C/C=O)/C
Systematic name (3)：
- (2E,4Z)-3-メチル-4-アセトキシ-6-[(1R)-1,2,2-トリメチル-4α-ヒドロキシシクロペンタン-1β-イル]-6-オキソ-2,4-ヘキサジエナール
- (2Z,4E)-1-[(1R,4S)-4-ヒドロキシ-1,2,2-トリメチルシクロペンチル]-4-メチル-1,6-ジオキソヘキサ-2,4-ジエン-3-イル アセタート
- (2Z,4E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4-methyl-1,6-dioxohexa-2,4-dien-3-yl acetate
- (2E,4Z)-3-Methyl-4-acetoxy-6-[(1R)-1,2,2-trimethyl-4α-hydroxycyclopentane-1β-yl]-6-oxo-2,4-hexadienal
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