1-Acetyl-20,21-Didehydro-17,19-Epoxy-4-Methyl-3,4-Secocuran-3-One
[CAS# 34227-00-4]

Identification

• Name: 1-Acetyl-20,21-Didehydro-17,19-Epoxy-4-Methyl-3,4-Secocuran-3-One
• Synonyms: 3,4-Secocuran-3-One, 1-Acetyl-20,21-Didehydro-17,19-Epoxy-4-Methyl-, (19R)-; Strychnobrasiline; (19R)-1-Acetyl-20,21-Didehydro-17,19-Epoxy-4-Methyl-3,4-Secocuran-3-One
• Molecular Formula: C₂₂H₂₆N₂O₃
• Molecular Weight: 366.46
• CAS Registry Number: 34227-00-4
• SMILES: [C@@H]12N(C5=C(C14C(=O)C[C@@H]\3[C@H]2CO[C@@H](C3=C/N(CC4)C)C)C=CC=C5)C(=O)C
• InChI: 1S/C22H26N2O3/c1-13-16-11-23(3)9-8-22-18-6-4-5-7-19(18)24(14(2)25)21(22)17(12-27-13)15(16)10-20(22)26/h4-7,11,13,15,17,21H,8-10,12H2,1-3H3/b16-11-/t13-,15+,17-,21+,22?/m1/s1
• InChIKey: XZIACDKZDCVKKQ-UJBRFIQFSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 628.606°C at 760 mmHg (Cal.)
• Flash point: 333.969°C (Cal.)