Cyanobacterin
[CAS# 80902-00-7]

Identification

• Name: Cyanobacterin
• Synonyms: (3R,4R,5Z)-3-[(7-Chloro-1,3-Benzodioxol-5-Yl)Methyl]-4-Hydroxy-4-Isopropyl-5-[(4-Methoxyphenyl)Methylene]Tetrahydrofuran-2-One; (3R,4R,5Z)-3-[(7-Chloro-1,3-Benzodioxol-5-Yl)Methyl]-4-Hydroxy-4-Isopropyl-5-[(4-Methoxyphenyl)Methylene]-2-Tetrahydrofuranone; (3R,4R,5Z)-3-[(7-Chloro-1,3-Benzodioxol-5-Yl)Methyl]-4-Hydroxy-4-Isopropyl-5-(4-Methoxybenzylidene)Tetrahydrofuran-2-One
• Molecular Formula: C₂₃H₂₃ClO₆
• Molecular Weight: 430.88
• CAS Registry Number: 80902-00-7
• SMILES: [C@H]2([C@@](/C(=C/C1=CC=C(OC)C=C1)OC2=O)(C(C)C)O)CC4=CC(=C3OCOC3=C4)Cl
• InChI: 1S/C23H23ClO6/c1-13(2)23(26)17(8-15-9-18(24)21-19(10-15)28-12-29-21)22(25)30-20(23)11-14-4-6-16(27-3)7-5-14/h4-7,9-11,13,17,26H,8,12H2,1-3H3/b20-11-/t17-,23+/m0/s1
• InChIKey: YYPUQBCQRSMSKU-YLBRSAIOSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 614.403°C at 760 mmHg (Cal.)
• Flash point: 325.38°C (Cal.)