Mollicellin E
[CAS# 68455-10-7]

Identification

• Name: Mollicellin E
• Synonyms: 8-Chloro-4,9-Dihydroxy-3-Methoxy-1,7-Dimethyl-2-(3-Methylbut-2-Enoyl)-6-Oxo-Benzo[B][1,4]Benzodioxepine-10-Carbaldehyde; 8-Chloro-4,9-Dihydroxy-3-Methoxy-1,7-Dimethyl-2-(3-Methyl-1-Oxobut-2-Enyl)-6-Oxo-10-Benzo[B][1,4]Benzodioxepinecarboxaldehyde; 8-Chloro-4,9-Dihydroxy-6-Keto-3-Methoxy-1,7-Dimethyl-2-(3-Methylbut-2-Enoyl)Benzo[B][1,4]Benzodioxepine-10-Carbaldehyde
• Molecular Formula: C₂₂H₁₉ClO₈
• Molecular Weight: 446.84
• CAS Registry Number: 68455-10-7
• SMILES: CC3=C2OC1=C(C(=C(Cl)C(=C1C(OC2=C(O)C(=C3C(=O)C=C(C)C)OC)=O)C)O)C=O
• InChI: 1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3
• InChIKey: JTGLZOMMRQOKBM-UHFFFAOYSA-N

Properties

• Density: 1.424g/cm³ (Cal.)
• Boiling point: 693.852°C at 760 mmHg (Cal.)
• Flash point: 373.428°C (Cal.)