7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxocyclopentyl]Heptanoic Acid Hydroxymethyl Acetate
[CAS# 120146-92-1]

Identification

• Name: 7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxocyclopentyl]Heptanoic Acid Hydroxymethyl Acetate
• Synonyms: 7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxo-Cyclopentyl]Heptanoic Acid; Hydroxymethyl Acetate; Acetic Acid Hydroxymethyl Ester; 7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxocyclopentyl]Heptanoic Acid; Acetic Acid Methylol Ester; 7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Keto-Cyclopentyl]Enanthic Acid
• Molecular Formula: C₂₃H₄₀O₈
• Molecular Weight: 444.56
• CAS Registry Number: 120146-92-1
• SMILES: [C@H]1([C@H](C(=O)C[C@H]1O)CCCCCCC(=O)O)\C=C\[C@@H](O)CCCCC.C(OC(=O)C)O
• InChI: 1S/C20H34O5.C3H6O3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;1-3(5)6-2-4/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25);4H,2H2,1H3/b13-12+;/t15-,16+,17+,19+;/m0./s1
• InChIKey: ZQAFKBVVUZQWPM-HZTJSMSYSA-N

Properties

• Boiling point: 529.3°C at 760 mmHg (Cal.)
• Flash point: 288°C (Cal.)