Eupachlorin
[CAS# 20071-50-5]

Identification

• Name: Eupachlorin
• Synonyms: [(3Ar,4R,6R,6Ar,7R,9As,9Bs)-6-(Chloromethyl)-6,7,9A-Trihydroxy-9-Methyl-3-Methylene-2-Oxo-3A,4,5,6A,7,9B-Hexahydroazuleno[4,5-B]Furan-4-Yl] (Z)-2-Methylbut-2-Enoate; (Z)-2-Methylbut-2-Enoic Acid [(3Ar,4R,6R,6Ar,7R,9As,9Bs)-6-(Chloromethyl)-6,7,9A-Trihydroxy-9-Methyl-3-Methylene-2-Oxo-3A,4,5,6A,7,9B-Hexahydroazuleno[4,5-B]Furan-4-Yl] Ester; (Z)-2-Methylbut-2-Enoic Acid [(3Ar,4R,6R,6Ar,7R,9As,9Bs)-6-(Chloromethyl)-6,7,9A-Trihydroxy-2-Keto-9-Methyl-3-Methylene-3A,4,5,6A,7,9B-Hexahydroazuleno[5,4-D]Furan-4-Yl] Ester
• Molecular Formula: C₂₀H₂₅ClO₇
• Molecular Weight: 412.87
• CAS Registry Number: 20071-50-5
• SMILES: [C@@H]23[C@@](O)([C@H]1OC(=O)C([C@@H]1[C@H](OC(=O)C(/C)=C\C)C[C@]2(O)CCl)=C)C(=C[C@H]3O)C
• InChI: 1S/C20H25ClO7/c1-5-9(2)17(23)27-13-7-19(25,8-21)15-12(22)6-10(3)20(15,26)16-14(13)11(4)18(24)28-16/h5-6,12-16,22,25-26H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1
• InChIKey: VCAKAFVZYNRGKS-WBNZXOOCSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 627.06°C at 760 mmHg (Cal.)
• Flash point: 333.034°C (Cal.)