Ascochlorin
[CAS# 26166-39-2]

Identification

• Name: Ascochlorin
• Synonyms: 5-Chloro-2,4-Dihydroxy-6-Methyl-3-[(2E,4E)-3-Methyl-5-(1,2,6-Trimethyl-3-Oxocyclohexyl)Penta-2,4-Dienyl]Benzaldehyde; 5-Chloro-2,4-Dihydroxy-6-Methyl-3-[3-Methyl-5-(1,2,6-Trimethyl-3-Oxo-Cyclohexyl)Penta-2,4-Dienyl]Benzaldehyde; 5-Chloro-2,4-Dihydroxy-6-Methyl-3-[(2E,4E)-3-Methyl-5-(1,2,6-Trimethyl-3-Oxo-Cyclohexyl)Penta-2,4-Dienyl]Benzaldehyde
• Molecular Formula: C₂₃H₂₉ClO₄
• Molecular Weight: 404.93
• CAS Registry Number: 26166-39-2
• SMILES: C(C1=C(C(=C(C)C(=C1O)C=O)Cl)O)/C=C(/C=C/C2(C(C(=O)CCC2C)C)C)C
• InChI: 1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+
• InChIKey: SETVRSKZJJWOPA-OGCXVWDESA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 556.912°C at 760 mmHg (Cal.)
• Flash point: 290.61°C (Cal.)