(19E)-1-acetyl-19,20-didehydro-Curan-17-ol
[CAS# 10388-62-2]

Identification

• Name: (19E)-1-acetyl-19,20-didehydro-Curan-17-ol
• Synonyms: 16-Isoretuline (7CI,8CI); Isoretuline
• Molecular Formula: C₂₁H₂₆N₂O₂
• Molecular Weight: 338.44
• CAS Registry Number: 10388-62-2
• SMILES: O=C(N2c1c(cccc1)C35[C@@H]2[C@@H]([C@@H]4C(=CC)CN(CC3)[C@H]5C4)CO)C
• InChI: 1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/t15-,16+,19-,20-,21?/m0/s1
• InChIKey: IJTKEUDLEABZCZ-CLRGLAINSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 559.553°C at 760 mmHg (Cal.)
• Flash point: 292.207°C (Cal.)
• Refractive index: 1.659 (Cal.)