Chem
J-GLOBAL ID：200907054237496488
Nikkaji number：J264.010D
12-OPDA
12-オキソPDA
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： C18H28O3
Molecular formula furigana： C18-H28-O3
Molecular weight： 292.419
InChI：
InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1
InChI key：
PMTMAFAPLCGXGK-JMTMCXQRSA-N
SMILES：
CC/C=C\C[C@H]1[C@@H](CCCCCCCC(=O)O)C=CC1=O
Systematic name (18)：
- (4S)-3-オキソ-4β-[(Z)-2-ペンテニル]シクロペンテン-5β-オクタン酸
- 8-[(1S)-2α-[(Z)-2-ペンテニル]-3-オキソ-4-シクロペンテン-1α-イル]オクタン酸
- 8-[(4S,5S)-4-[(Z)-2-ペンテニル]-3-オキソシクロペンテン-5-イル]オクタン酸
- 8-[(1β)-4-オキソ-5β-[(Z)-2-ペンテニル]-2-シクロペンテニル]オクタン酸
- (1S,5S)-4-オキソ-5-[(Z)-2-ペンテニル]-2-シクロペンテン-1-オクタン酸
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- 8-[(1S,5S)-5-[(Z)-2-Pentenyl]-4-oxo-2-cyclopentenyl]octanoic acid
- (9S,13S)-12-オキソフィトジエン酸
- (9S,13S)-12-Oxo-phytodienoic acid
- 8-[(1S)-5β-[(Z)-2-Pentenyl]-4-oxo-2-cyclopentene-1β-yl]octanoic acid
- 8-[(1S)-4-Oxo-5β-[(Z)-2-pentenyl]-2-cyclopentene-1β-yl]octanoic acid
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