Azafrin
[CAS# 507-61-9]

Identification

• Name: Azafrin
• Synonyms: (2E,4E,6E,8E,10E,12E,14E)-15-[(1R,2R)-1,2-Dihydroxy-2,6,6-Trimethyl-Cyclohexyl]-4,9,13-Trimethyl-Pentadeca-2,4,6,8,10,12,14-Heptaenoic Acid; C08581
• Molecular Formula: C₂₇H₃₈O₄
• Molecular Weight: 426.59
• CAS Registry Number: 507-61-9
• SMILES: [C@]1(O)(CCCC([C@]1(O)\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C(=O)O)C)C)C)(C)C)C
• InChI: 1S/C27H38O4/c1-21(11-7-8-12-22(2)15-16-24(28)29)13-9-14-23(3)17-20-27(31)25(4,5)18-10-19-26(27,6)30/h7-9,11-17,20,30-31H,10,18-19H2,1-6H3,(H,28,29)/b8-7+,13-9+,16-15+,20-17+,21-11+,22-12+,23-14+/t26-,27-/m1/s1
• InChIKey: NYWCITDWPAZNBU-DYISAODMSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 582.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 320.2±26.6°C (Cal.)