Chem
J-GLOBAL ID：200907003726114004
Nikkaji number：J1.628.970A
(3Z,5E,11E)-3,5,11-Tridecatriene-7,9-diyne-1-ol [(E)-3-methoxy-4-hydroxy-trans-cinnamate]
(3Z,5E,11E)-3,5,11-トリデカトリエン-7,9-ジイン-1-オール[(E)-3-メトキシ-4-ヒドロキシ-trans-シンナマート]
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： C23H22O4
Molecular formula furigana： C23-H22-O4
Molecular weight： 362.425
InChI：
InChI=1S/C23H22O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-27-23(25)17-15-20-14-16-21(24)22(19-20)26-2/h3-4,9-12,14-17,19,24H,13,18H2,1-2H3/b4-3+,10-9+,12-11-,17-15+
InChI key：
KCUYKCLNDJQUQH-PKMWOLKKSA-N
SMILES：
COc1cc(/C=C/C(=O)OCC/C=C\C=C\C#CC#C/C=C/C)ccc1O
Systematic name (3)：
- (3Z,5E,11E)-3,5,11-トリデカトリエン-7,9-ジイン-1-オール[(E)-3-メトキシ-4-ヒドロキシ-trans-シンナマート]
- (3Z,5E,11E)-トリデカ-3,5,11-トリエン-7,9-ジイン-1-イル (2E)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
- (3Z,5E,11E)-trideca-3,5,11-trien-7,9-diyn-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- (3Z,5E,11E)-3,5,11-Tridecatriene-7,9-diyne-1-ol [(E)-3-methoxy-4-hydroxy-trans-cinnamate]
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