(8alpha,9beta)-6,8-Dimethylergolin-9-Ol
[CAS# 6879-93-2]

Identification

• Name: (8alpha,9beta)-6,8-Dimethylergolin-9-Ol
• Synonyms: fumigaclavine B
• Molecular Formula: C₁₆H₂₀N₂O
• Molecular Weight: 256.34
• CAS Registry Number: 6879-93-2
• SMILES: O[C@H]3[C@H](C)CN(C)[C@@H]4Cc1cnc2cccc(c12)[C@@H]34
• InChI: 1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3/t9-,13-,15-,16+/m1/s1
• InChIKey: JUXRVSRUBIFVKE-BBDZHYCFSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 481.185°C at 760 mmHg (Cal.)
• Flash point: 244.812°C (Cal.)