Chlorovulone I
[CAS# 100295-81-6]

Identification

• Name: Chlorovulone I
• Synonyms: (Z,7E)-7-[(2R)-4-Chloro-2-Hydroxy-2-[(Z)-Oct-2-Enyl]-5-Oxo-1-Cyclopent-3-Enylidene]Hept-5-Enoic Acid Methyl Ester; (Z,7E)-7-[(2R)-4-Chloro-2-Hydroxy-5-Keto-2-[(Z)-Oct-2-Enyl]-1-Cyclopent-3-Enylidene]Hept-5-Enoic Acid Methyl Ester; Lmfa03120008
• Molecular Formula: C₂₁H₂₉ClO₄
• Molecular Weight: 380.91
• CAS Registry Number: 100295-81-6
• SMILES: [C@@]1(O)(\C(C(=O)C(=C1)Cl)=C/C=C\CCCC(OC)=O)C\C=C/CCCCC
• InChI: 1S/C21H29ClO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1
• InChIKey: CTIZPKYMYVPNGA-DJKWDOPVSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 520.728°C at 760 mmHg (Cal.)
• Flash point: 268.727°C (Cal.)