Epoxyagroclavine-1
[CAS# 82564-34-9]

Identification

• Name: Epoxyagroclavine-1
• Synonyms: Ergoline, 8,9-Epoxy-6,8-Dimethyl-, (8Beta,9Beta,10Beta)-
• Molecular Formula: C₁₆H₁₈N₂O
• Molecular Weight: 254.33
• CAS Registry Number: 82564-34-9
• SMILES: [C@@H]34CC1=C[NH]C2=CC=CC(=C12)[C@@H]3[C@H]5[C@](CN4C)(C)O5
• InChI: 1S/C16H18N2O/c1-16-8-18(2)12-6-9-7-17-11-5-3-4-10(13(9)11)14(12)15(16)19-16/h3-5,7,12,14-15,17H,6,8H2,1-2H3/t12-,14+,15+,16-/m1/s1
• InChIKey: WASFVUNJIDBCHV-SYAUCNOPSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 433.536°C at 760 mmHg (Cal.)
• Flash point: 215.995°C (Cal.)