5-Chloro-2-Hydroxy-4-Methoxy-6-Methyl-3-[(2E,4E)-3-Methyl-5-[(1R,2R,6R)-1,2,6-Trimethyl-3-Oxocyclohexyl]Penta-2,4-Dienyl]Benzaldehyde
[CAS# 38561-40-9]

Identification

• Name: 5-Chloro-2-Hydroxy-4-Methoxy-6-Methyl-3-[(2E,4E)-3-Methyl-5-[(1R,2R,6R)-1,2,6-Trimethyl-3-Oxocyclohexyl]Penta-2,4-Dienyl]Benzaldehyde
• Synonyms: 5-Chloro-2-Hydroxy-4-Methoxy-6-Methyl-3-[(2E,4E)-3-Methyl-5-[(1R,2R,6R)-1,2,6-Trimethyl-3-Oxo-Cyclohexyl]Penta-2,4-Dienyl]Benzaldehyde; 5-Chloro-2-Hydroxy-3-[(2E,4E)-5-[(1R,2R,6R)-3-Keto-1,2,6-Trimethyl-Cyclohexyl]-3-Methyl-Penta-2,4-Dienyl]-4-Methoxy-6-Methyl-Benzaldehyde; 4-O-Methylascochlorin
• Molecular Formula: C₂₄H₃₁ClO₄
• Molecular Weight: 418.96
• CAS Registry Number: 38561-40-9
• SMILES: [C@@]1([C@H](C(=O)CC[C@H]1C)C)(\C=C\C(=C\CC2=C(OC)C(=C(C(=C2O)C=O)C)Cl)C)C
• InChI: 1S/C24H31ClO4/c1-14(11-12-24(5)15(2)8-10-20(27)17(24)4)7-9-18-22(28)19(13-26)16(3)21(25)23(18)29-6/h7,11-13,15,17,28H,8-10H2,1-6H3/b12-11+,14-7+/t15-,17+,24+/m1/s1
• InChIKey: XUAAAHFMBMDZCQ-UMXIGZEWSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 538.761°C at 760 mmHg (Cal.)
• Flash point: 279.633°C (Cal.)