(Q82664229)

English

8-[(1S,5R)-4-Oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoic acid

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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292.20384475599997 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(9R,13R)-12-oxophytodienoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

8-[(1R,5S)-4-Oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

9S,13R-12-oxophytodienoic acid

1 reference

based on heuristic

inferred from InChI

(15Z)-12-oxophyto-10,15-dienoic acid

1 reference

based on heuristic

inferred from InChI

8-[4-Oxo-5beta-[(Z)-2-pentenyl]-2-cyclopentene-1alpha-yl]octanoic acid

1 reference

based on heuristic

inferred from InChI

9R,13R-12-oxophytodienoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₈O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC=CC[C@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

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)/t15-,16+/m0/s1

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PMTMAFAPLCGXGK-JKSUJKDBSA-N

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CAS Registry Number

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2 references

26 December 2021

matched by identifier from

PMTMAFAPLCGXGK-JKSUJKDBSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

PMTMAFAPLCGXGK-JKSUJKDBSA-N

DSSTOX compound identifier

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