Methyl (2E,3S,4S,5E)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylene)-3-methyl-5-hexenoate
[CAS# 87081-56-9]

Identification

• Name: Methyl (2E,3S,4S,5E)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylene)-3-methyl-5-hexenoate
• Synonyms: (-)-OUDEMANSIN B
• Molecular Formula: C₁₈H₂₃ClO₅
• Molecular Weight: 354.83
• CAS Registry Number: 87081-56-9
• SMILES: C[C@H]([C@H](/C=C/C1=CC(=C(C=C1)Cl)OC)OC)/C(=C\OC)/C(=O)OC
• InChI: 1S/C18H23ClO5/c1-12(14(11-21-2)18(20)24-5)16(22-3)9-7-13-6-8-15(19)17(10-13)23-4/h6-12,16H,1-5H3/b9-7+,14-11+/t12-,16-/m0/s1
• InChIKey: DPNYGWABRKPFDE-PQHZCZHCSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 469.3±45.0°C at 760 mmHg (Cal.)
• Flash point: 166.3±27.7°C (Cal.)