{(1R,2S)-3-Oxo-2-[(2Z)-2-Penten-1-Yl]Cyclopentyl}Acetic Acid
[CAS# 62653-85-4]

Identification

• Name: {(1R,2S)-3-Oxo-2-[(2Z)-2-Penten-1-Yl]Cyclopentyl}Acetic Acid
• Synonyms: (+)-7-isojasmonic acid; (+)-7-iso-Jasmonic acid; (±)7-epi Jasmonic Acid
• Molecular Formula: C₁₂H₁₈O₃
• Molecular Weight: 210.27
• CAS Registry Number: 62653-85-4
• SMILES: O=C(O)C[C@@H]1[C@@H](C(=O)CC1)C\C=C/CC
• InChI: 1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m1/s1
• InChIKey: ZNJFBWYDHIGLCU-QKMQQOOLSA-N

Properties

• Density: 1.061g/cm³ (Cal.)
• Boiling point: 358.126°C at 760 mmHg (Cal.)
• Flash point: 184.578°C (Cal.)

References

• (1): Hisato Nonaka, Narihito Ogawa, Noriaki Maeda, Yong-Gang Wang and Yuichi Kobayashi. Stereoselective synthesis of epi-jasmonic acid, tuberonic acid, and 12-oxo-PDA, Org. Biomol. Chem., 2010, 8, 5212.